CC-90001
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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
- CC-90001
- DrugBank Accession Number
- DB18445
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 321.425
Monoisotopic: 321.216475129 - Chemical Formula
- C16H27N5O2
- Synonyms
- 2-((1,1-DIMETHYLETHYL)AMINO)-4-(((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYL)AMINO)-5-PYRIMIDINECARBOXAMIDE
- 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE
- 5-PYRIMIDINECARBOXAMIDE, 2-((1,1-DIMETHYLETHYL)AMINO)-4-(((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYL)AMINO)-
- External IDs
- CC 90001
- CC-90001
- CC90001
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
- JD5ZWE631K
- CAS number
- 1403859-14-2
- InChI Key
- QBBRJRLJWXRSHQ-CKYFFXLPSA-N
- InChI
- InChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12+/m1/s1
- IUPAC Name
- 2-(tert-butylamino)-4-{[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino}pyrimidine-5-carboxamide
- SMILES
- C[C@@H]1CC[C@H](C[C@H]1O)NC1=NC(NC(C)(C)C)=NC=C1C(N)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 114929465
- ChEMBL
- CHEMBL4847106
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Cirrhosis of the Liver / Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD 1 2 Terminated Treatment Fibrosis / Idiopathic Interstitial Pneumonias / Idiopathic Pulmonary Fibrosis (IPF) / Interstitial Lung Disease / Lung Disorder / Pathologic Processes / Respiratory Tract Diseases 1 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Other Healthy Volunteers (HV) 1 1 Completed Treatment Healthy Volunteers (HV) 3
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 1.53 Chemaxon pKa (Strongest Acidic) 13.53 Chemaxon pKa (Strongest Basic) 5.76 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 113.16 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 93.37 m3·mol-1 Chemaxon Polarizability 35.54 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 23, 2023 01:28 / Updated at September 24, 2023 02:56