CP-12
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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
- CP-12
- DrugBank Accession Number
- DB18169
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1763.13
Monoisotopic: 1762.015477858 - Chemical Formula
- C84H131N25O17
- Synonyms
- CYCLIZED P12 (PEPTIDE BOND BETWEEN THE CARBOXY AND AMINO-TERMINAL ENDS OF THE LINEAR PEPTIDE PSHISKYILRWRPK)
- PROLYL-L-SERYL-L-HISTIDYL-L-ISOLEUCYL-L-SERYL-L-LYSYL-L-TYROSYL-L-ISOLEUCYL-L-LEUCYL- L-ARGINYL-L-TRYPTOPHANYL-L-ARGINYL-L-PROLYL-L-LYSYL), CYCLO (1-14)
- External IDs
- CP 12
- CP12
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- SM5MFZ7FKP
- CAS number
- Not Available
- InChI Key
- IZEYWQHWXBTEIK-POJYALDXSA-N
- InChI
- InChI=1S/C84H131N25O17/c1-7-47(5)67-79(123)103-59(37-46(3)4)71(115)96-56(23-15-33-92-83(87)88)70(114)101-61(39-50-41-94-54-20-10-9-19-53(50)54)72(116)98-58(24-16-34-93-84(89)90)82(126)108-35-17-25-65(108)77(121)99-57(22-12-14-32-86)81(125)109-36-18-26-66(109)78(122)104-63(43-110)76(120)102-62(40-51-42-91-45-95-51)74(118)107-68(48(6)8-2)80(124)105-64(44-111)75(119)97-55(21-11-13-31-85)69(113)100-60(73(117)106-67)38-49-27-29-52(112)30-28-49/h9-10,19-20,27-30,41-42,45-48,55-68,94,110-112H,7-8,11-18,21-26,31-40,43-44,85-86H2,1-6H3,(H,91,95)(H,96,115)(H,97,119)(H,98,116)(H,99,121)(H,100,113)(H,101,114)(H,102,120)(H,103,123)(H,104,122)(H,105,124)(H,106,117)(H,107,118)(H4,87,88,92)(H4,89,90,93)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
- IUPAC Name
- N-{3-[(3S,6S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-3,30-bis(4-aminobutyl)-24,36-bis[(2S)-butan-2-yl]-18-(3-carbamimidamidopropyl)-33,42-bis(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-39-[(1H-imidazol-4-yl)methyl]-15-[(1H-indol-3-yl)methyl]-21-(2-methylpropyl)-2,5,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1,4,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazatricyclo[43.3.0.0^{6,10}]octatetracontan-12-yl]propyl}guanidine
- SMILES
- CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)[C@@H](C)CC
References
- General References
- Not Available
- External Links
- ChemSpider
- 81368383
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 -5.2 Chemaxon pKa (Strongest Acidic) 9.36 Chemaxon pKa (Strongest Basic) 12.21 Chemaxon Physiological Charge 4 Chemaxon Hydrogen Acceptor Count 26 Chemaxon Hydrogen Donor Count 25 Chemaxon Polar Surface Area 670.82 Å2 Chemaxon Rotatable Bond Count 30 Chemaxon Refractivity 482.27 m3·mol-1 Chemaxon Polarizability 185.99 Å3 Chemaxon Number of Rings 7 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 16:56 / Updated at September 15, 2023 10:38