Rebimastat
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Rebimastat
- DrugBank Accession Number
- DB06573
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 499.67
Monoisotopic: 499.282840614 - Chemical Formula
- C23H41N5O5S
- Synonyms
- Rebimastat
- External IDs
- BMS 275291-01
- BMS-275291
- BMS-275291-01
- BMS275291
- D-2163
- D2163
Pharmacology
- Indication
Investigated for use/treatment in lung cancer and prostate cancer.
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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. View sample adverse effects data in our new Data Library!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 hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Peptidomimetics
- Sub Class
- Hybrid peptides
- Direct Parent
- Hybrid peptides
- Alternative Parents
- Dipeptides / Leucine and derivatives / Valine and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Hydantoins / N-acyl ureas / N-acyl amines / Dicarboximides / Secondary carboxylic acid amides show 7 more
- Substituents
- Aliphatic heteromonocyclic compound / Alkylthiol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Azacycle / Carbonic acid derivative / Carbonyl group / Carboxamide group / Carboxylic acid derivative show 25 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1B47R6ZX4K
- CAS number
- 259188-38-0
- InChI Key
- GTXSRFUZSLTDFX-HRCADAONSA-N
- InChI
- InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1
- IUPAC Name
- (2S)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-methyl-2-[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamido]pentanamide
- SMILES
- CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 8089530
- BindingDB
- 50108168
- ChEMBL
- CHEMBL76222
- ZINC
- ZINC000003939175
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Adenocarcinoma of Prostate / Bone Metastases / Hormone Resistant Prostate Cancer / Recurrent Prostate Cancer / Stage IV Prostate Cancer 1 2 Completed Treatment Adenocarcinoma of Prostate / Recurrent Prostate Cancer / Stage IV Prostate Cancer 1 2 Terminated Treatment Breast Cancer 1 2, 3 Completed Treatment Lung Cancer 1 1, 2 Completed Treatment Sarcomas 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 0.00618 mg/mL ALOGPS logP 2.75 ALOGPS logP 0.97 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 9.31 Chemaxon pKa (Strongest Basic) -2.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 127.92 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 131.54 m3·mol-1 Chemaxon Polarizability 54.52 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0ue9-7901370000-fdfbabf8bd746029534a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-052g-1303900000-498d9faed09f92a66188 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0059-3119200000-a930f3c6406709d1b393 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-06r6-9600100000-782f59dfe1df19fb91ff Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9604000000-f3255b1f0fdd4caf338d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9855200000-bd2a130cc4e95373e7d9 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 225.23598 predictedDeepCCS 1.0 (2019) [M+H]+ 227.33702 predictedDeepCCS 1.0 (2019) [M+Na]+ 233.24959 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:37 / Updated at February 21, 2021 18:52