This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BPC-157
- DrugBank Accession Number
- DB11882
- Background
Bepecin is under investigation in clinical trial NCT02637284 (PCO-02 - Safety and Pharmacokinetics Trial).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for BPC-157 (DB11882)
- Weight
- Average: 1419.556
Monoisotopic: 1418.70415886 - Chemical Formula
- C62H98N16O22
- Synonyms
- Bepecin
- External IDs
- PL-10
- PL-14736
- PLD-116
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
- 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 polypeptides. These are peptides containing ten or more amino acid residues.
- Kingdom
- Organic compounds
- Super Class
- Organic Polymers
- Class
- Polypeptides
- Sub Class
- Not Available
- Direct Parent
- Polypeptides
- Alternative Parents
- Peptides / Aspartic acid and derivatives / Leucine and derivatives / Valine and derivatives / Tetracarboxylic acids and derivatives / Proline and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Alanine and derivatives / Pyrrolidinecarboxamides show 11 more
- Substituents
- Alanine or derivatives / Aliphatic heteromonocyclic compound / Alpha peptide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aspartic acid or derivatives / Azacycle show 31 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8ED8NXK95P
- CAS number
- 137525-51-0
- InChI Key
- HEEWEZGQMLZMFE-RKGINYAYSA-N
- InChI
- InChI=1S/C62H98N16O22/c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1
- IUPAC Name
- (4S)-5-[(2S)-2-[(2S)-2-[(2S)-2-[({[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-2-carboxy-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-(2-aminoacetamido)-5-oxopentanoic acid
- SMILES
- CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(O)=O
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Unknown Status Basic Science Healthy Volunteers (HV) 1
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 0.508 mg/mL ALOGPS logP -2.6 ALOGPS logP -13 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 2.96 Chemaxon pKa (Strongest Basic) 10.2 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 24 Chemaxon Hydrogen Donor Count 16 Chemaxon Polar Surface Area 573.48 Å2 Chemaxon Rotatable Bond Count 39 Chemaxon Refractivity 342.78 m3·mol-1 Chemaxon Polarizability 142.8 Å3 Chemaxon Number of Rings 4 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]- 356.55084 predictedDeepCCS 1.0 (2019) [M+H]+ 358.27454 predictedDeepCCS 1.0 (2019) [M+Na]+ 364.49124 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:57 / Updated at June 12, 2020 16:53