Identification
- Generic Name
- ABT-510
- DrugBank Accession Number
- DB05434
- Background
ABT-510 is a peptide mimetic of thrombospondin-1 (TSP-1), blocks angiogenesis in vitro and in vivo, and slows tumor growth. It is developed by Abbott Laboratories for the treatment of Solid Tumors, Lymphoma and Melanoma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for ABT-510 (DB05434)
- Weight
- Average: 994.2317
Monoisotopic: 993.633500563 - Chemical Formula
- C46H83N13O11
- Synonyms
- Not Available
- External IDs
- ABT 510
- ABT-510
Pharmacology
- Indication
Investigated for use/treatment in lymphoma (unspecified), melanoma, and solid tumors.
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
ABT-510 is a synthetic peptide that mimics the anti-angiogenic activity of the naturally occurring protein, thrombospondin-1 (TSP-1). Angiogenesis is the process of new blood vessel formation. ABT-510 blocks the actions of multiple pro-angiogenic growth factors known to play a role in cancer related blood vessel growth, such as VEGF, bFGF, HGF, and IL-8. ABT-510 is the first compound with this mechanism of action to be studied.
Target Actions Organism UFibroblast growth factor 2 Not Available Humans UHepatocyte growth factor Not Available Humans UVascular endothelial growth factor A Not Available Humans UInterleukin-8 Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Peptidomimetics
- Sub Class
- Peptoid-peptide hybrids
- Direct Parent
- Peptoid-peptide hybrids
- Alternative Parents
- Isoleucine and derivatives / Valine and derivatives / N-acyl-alpha amino acids and derivatives / Proline and derivatives / Alpha amino acid amides / N-acylpyrrolidines / Pyrrolidinecarboxamides / N-acyl amines / Acetamides / Tertiary carboxylic acid amides show 10 more
- Substituents
- Acetamide / Alcohol / Aliphatic heteromonocyclic compound / Alpha-amino acid amide / Alpha-amino acid or derivatives / Azacycle / Carbonyl group / Carboxamide group / Carboximidamide / Carboxylic acid derivative show 27 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CRR8E37XOB
- CAS number
- 251579-55-2
- InChI Key
- RIWLPSIAFBLILR-WVNGMBSFSA-N
- InChI
- InChI=1S/C46H83N13O11/c1-12-18-30(39(64)55-36(26(7)13-2)42(67)53-31(19-16-21-50-46(47)48)45(70)59-22-17-20-32(59)40(65)49-15-4)52-44(69)38(28(9)60)57-43(68)37(27(8)14-3)56-41(66)35(25(5)6)54-33(62)23-51-34(63)24-58(11)29(10)61/h25-28,30-32,35-38,60H,12-24H2,1-11H3,(H,49,65)(H,51,63)(H,52,69)(H,53,67)(H,54,62)(H,55,64)(H,56,66)(H,57,68)(H4,47,48,50)/t26-,27-,28+,30-,31-,32-,35-,36-,37+,38-/m0/s1
- IUPAC Name
- (2S)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2R,3S)-3-methyl-2-[(2S)-3-methyl-2-{2-[2-(N-methylacetamido)acetamido]acetamido}butanamido]pentanamido]butanamido]pentanamido]-3-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
- SMILES
- CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC
References
- General References
- Rusk A, McKeegan E, Haviv F, Majest S, Henkin J, Khanna C: Preclinical evaluation of antiangiogenic thrombospondin-1 peptide mimetics, ABT-526 and ABT-510, in companion dogs with naturally occurring cancers. Clin Cancer Res. 2006 Dec 15;12(24):7444-55. [Article]
- Gietema JA, Hoekstra R, de Vos FY, Uges DR, van der Gaast A, Groen HJ, Loos WJ, Knight RA, Carr RA, Humerickhouse RA, Eskens FA: A phase I study assessing the safety and pharmacokinetics of the thrombospondin-1-mimetic angiogenesis inhibitor ABT-510 with gemcitabine and cisplatin in patients with solid tumors. Ann Oncol. 2006 Aug;17(8):1320-7. Epub 2006 May 25. [Article]
- External Links
- PubChem Compound
- 6918562
- PubChem Substance
- 175427003
- ChemSpider
- 5293759
- BindingDB
- 50165195
- ChEMBL
- CHEMBL386115
- ZINC
- ZINC000169362874
- Wikipedia
- ABT-510
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Hodgkin's Lymphoma / Non-Hodgkin's Lymphoma (NHL) 1 2 Completed Treatment Melanoma 1 2 Completed Treatment Renal Cell Carcinoma (RCC) 1 2 Completed Treatment Soft Tissue Sarcoma 1 2 Terminated Treatment Non-Small Cell Lung Carcinoma 1 1 Completed Not Available Solid Tumors 1 1 Completed Treatment Brain Neoplasm 1 1, 2 Completed Treatment Head And Neck Cancer 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0426 mg/mL ALOGPS logP 1.08 ALOGPS logP -3.3 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 10.73 Chemaxon pKa (Strongest Basic) 11.56 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 358.05 Å2 Chemaxon Rotatable Bond Count 30 Chemaxon Refractivity 257.8 m3·mol-1 Chemaxon Polarizability 107.38 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.8943 Blood Brain Barrier - 0.9627 Caco-2 permeable - 0.7358 P-glycoprotein substrate Substrate 0.895 P-glycoprotein inhibitor I Non-inhibitor 0.5629 P-glycoprotein inhibitor II Non-inhibitor 0.6938 Renal organic cation transporter Non-inhibitor 0.8488 CYP450 2C9 substrate Non-substrate 0.846 CYP450 2D6 substrate Non-substrate 0.7697 CYP450 3A4 substrate Substrate 0.5159 CYP450 1A2 substrate Non-inhibitor 0.8674 CYP450 2C9 inhibitor Non-inhibitor 0.8617 CYP450 2D6 inhibitor Non-inhibitor 0.8883 CYP450 2C19 inhibitor Non-inhibitor 0.8217 CYP450 3A4 inhibitor Non-inhibitor 0.9247 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9937 Ames test Non AMES toxic 0.7586 Carcinogenicity Non-carcinogens 0.8557 Biodegradation Ready biodegradable 0.5262 Rat acute toxicity 2.7475 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9101 hERG inhibition (predictor II) Non-inhibitor 0.7714
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ligand-dependent nuclear receptor transcription coactivator activity
- Specific Function
- Plays an important role in the regulation of cell survival, cell division, angiogenesis, cell differentiation and cell migration. Functions as potent mitogen in vitro.
- Gene Name
- FGF2
- Uniprot ID
- P09038
- Uniprot Name
- Fibroblast growth factor 2
- Molecular Weight
- 30769.715 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- Potent mitogen for mature parenchymal hepatocyte cells, seems to be a hepatotrophic factor, and acts as a growth factor for a broad spectrum of tissues and cell types. Activating ligand for the rec...
- Gene Name
- HGF
- Uniprot ID
- P14210
- Uniprot Name
- Hepatocyte growth factor
- Molecular Weight
- 83133.115 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Vascular endothelial growth factor receptor binding
- Specific Function
- Growth factor active in angiogenesis, vasculogenesis and endothelial cell growth. Induces endothelial cell proliferation, promotes cell migration, inhibits apoptosis and induces permeabilization of...
- Gene Name
- VEGFA
- Uniprot ID
- P15692
- Uniprot Name
- Vascular endothelial growth factor A
- Molecular Weight
- 27042.205 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Interleukin-8 receptor binding
- Specific Function
- IL-8 is a chemotactic factor that attracts neutrophils, basophils, and T-cells, but not monocytes. It is also involved in neutrophil activation. It is released from several cell types in response t...
- Gene Name
- CXCL8
- Uniprot ID
- P10145
- Uniprot Name
- Interleukin-8
- Molecular Weight
- 11097.98 Da
Drug created at November 18, 2007 18:24 / Updated at January 30, 2023 22:00