K-777
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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
- K-777
- DrugBank Accession Number
- DB17760
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 574.74
Monoisotopic: 574.261376894 - Chemical Formula
- C32H38N4O4S
- Synonyms
- 1-piperazinecarboxamide, 4-methyl-n-((1s)-2-oxo-2-(((1s)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl)amino)-1-(phenylmethyl)ethyl)-
- 1-piperazinecarboxamide, 4-methyl-n-((1s)-2-oxo-2-(((1s)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-
- 4-methylpiperazine-1-carboxylic acid [1-(3-benzenesufonyl-1-phenethylallyl-carbamoyl)-2-phenylethyl] amide
- 4-methylpiperazine-1-carboxylic acid(1-((3-benzenesufonyl-1-phenethylallyl)carbamoyl)-2-phenylethyl)amide
- K-1177
- K-777
- K1177
- SLV-213
- External IDs
- APC-3316
- CRA-3316
- K-1177
- K-11777
- K-777
- K1177
- K777
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
- 320A4L58IZ
- CAS number
- 502960-90-9
- InChI Key
- RHJLQMVZXQKJKB-FPHSVDBKSA-N
- InChI
- InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
- IUPAC Name
- (2S)-N-[(1E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-2-{[(E)-4-methylpiperazine-1-carbonyl]amino}-3-phenylpropanamide
- SMILES
- CN1CCN(CC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8026829
- ChEMBL
- CHEMBL91704
- ZINC
- ZINC000055865535
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 3.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 98.82 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 162.22 m3·mol-1 Chemaxon Polarizability 62.23 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 09, 2023 16:04 / Updated at May 09, 2023 23:23