AP-102
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AP-102
- DrugBank Accession Number
- DB18206
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1313.08
Monoisotopic: 1312.25557 - Chemical Formula
- C50H66I2N12O10S2
- Synonyms
- H-(4-amino-3-iodo)-d-phe-c(cys-(3-iodo)-tyr-d-trp-lys-val-cys)-thr-nh2
- H-(4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Lys-Val-Cys]-Thr-NH2
- L-threoninamide, 4-amino-3-iodo-d-phenylalanyl-l-cysteinyl-3-iodo-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl-l-cysteinyl-, cyclic (2->7)-disulfide
- External IDs
- AP-102
- AP102
Pharmacology
- Indication
Not Available
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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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- EW91FWW4HC
- CAS number
- 846569-60-6
- InChI Key
- ISZMJWBQCGWNNM-FJOHFWBCSA-N
- InChI
- InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33-,35+,36+,37-,38+,39+,41+,42+/m1/s1
- IUPAC Name
- (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-(4-amino-3-iodophenyl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxy-3-iodophenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
- SMILES
- CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C(I)=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)CC1=CC=C(N)C(I)=C1
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
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 logP -0.44 Chemaxon pKa (Strongest Acidic) 8.46 Chemaxon pKa (Strongest Basic) 10.19 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 381.1 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 307.9 m3·mol-1 Chemaxon Polarizability 121.83 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2023 20:58 / Updated at February 05, 2024 00:29