This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- TT-232
- DrugBank Accession Number
- DB12088
- Background
Tln 232 is under investigation in clinical trial NCT00422786 (Phase II Study of CAP-232 in Patients With Refractory Metastatic Renal Cell Carcinoma).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for TT-232 (DB12088)
- Weight
- Average: 947.14
Monoisotopic: 946.382965836 - Chemical Formula
- C45H58N10O9S2
- Synonyms
- D-Phe-Cys-Tyr-D-Trp-Lys-Cys-Thr-NH2 (disulfide bridge: 2-6)
- External IDs
- TLN-232
Pharmacology
- Indication
Not Available
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism APyruvate kinase PKM modulatorHumans - 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
Products
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Ingredient UNII CAS InChI Key D-Phe-Cys-Tyr-D-Trp-Lys-Cys-Thr-NH2 (disulfide bridge: 2-6) acetate QRJ8C05E9C Not Available Not applicable
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Cyclic peptides / Phenylalanine and derivatives / Macrolactams / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / 3-alkylindoles / Aralkylamines / 1-hydroxy-2-unsubstituted benzenoids / Fatty amides show 12 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 3-alkylindole / Alcohol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aralkylamine show 33 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 49D4Q4254Z
- CAS number
- 147159-51-1
- InChI Key
- SNAJPQVDGYDQSW-DYCFWDQMSA-N
- InChI
- InChI=1S/C45H58N10O9S2/c1-25(56)38(39(48)58)55-45(64)37-24-66-65-23-36(53-40(59)31(47)19-26-9-3-2-4-10-26)44(63)51-34(20-27-14-16-29(57)17-15-27)42(61)52-35(21-28-22-49-32-12-6-5-11-30(28)32)43(62)50-33(41(60)54-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,49,56-57H,7-8,13,18-21,23-24,46-47H2,1H3,(H2,48,58)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,54,60)(H,55,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1
- IUPAC Name
- (2S,3R)-2-{[(4R,7S,10R,13S,16R)-16-[(2R)-2-amino-3-phenylpropanamido]-7-(4-aminobutyl)-13-[(4-hydroxyphenyl)methyl]-10-[(1H-indol-3-yl)methyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-4-yl]formamido}-3-hydroxybutanamide
- SMILES
- C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6918265
- PubChem Substance
- 347828394
- ChemSpider
- 5293471
- ChEMBL
- CHEMBL539934
- ZINC
- ZINC000169289417
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Renal Cell Carcinoma (RCC) 1 somestatus stop reason just information to hide 2 Terminated Treatment Melanoma 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00927 mg/mL ALOGPS logP 0.83 ALOGPS logP -1.8 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 7.7 Chemaxon pKa (Strongest Basic) 10.61 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 12 Chemaxon Polar Surface Area 325.98 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 250.18 m3·mol-1 Chemaxon Polarizability 98.26 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 285.1434 predictedDeepCCS 1.0 (2019) [M+H]+ 286.86713 predictedDeepCCS 1.0 (2019) [M+Na]+ 293.19608 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Catalyzes the final rate-limiting step of glycolysis by mediating the transfer of a phosphoryl group from phosphoenolpyruvate (PEP) to ADP, generating ATP (PubMed:15996096, PubMed:1854723, PubMed:20847263). The ratio between the highly active tetrameric form and nearly inactive dimeric form determines whether glucose carbons are channeled to biosynthetic processes or used for glycolytic ATP production (PubMed:15996096, PubMed:1854723, PubMed:20847263). The transition between the 2 forms contributes to the control of glycolysis and is important for tumor cell proliferation and survival (PubMed:15996096, PubMed:1854723, PubMed:20847263)
- Specific Function
- ATP binding
- Gene Name
- PKM
- Uniprot ID
- P14618
- Uniprot Name
- Pyruvate kinase PKM
- Molecular Weight
- 57936.38 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:19 / Updated at August 27, 2024 19:15