This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PF-4136309
- DrugBank Accession Number
- DB17200
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PF-4136309 (DB17200)
- Weight
- Average: 568.601
Monoisotopic: 568.240973371 - Chemical Formula
- C29H31F3N6O3
- Synonyms
- Benzamide, n-(2-((3s)-3-((trans-4-hydroxy-4-(5-(2-pyrimidinyl)- 2-pyridinyl)cyclohexyl)amino)-1-pyrrolidinyl)-2-oxoethyl)-3-(trifluoromethyl)-
- N-(2-((3s)-3-((trans-4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2- yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide
- External IDs
- INCB-8761
- INCB8761
- PF-04136309
- PF-4136309
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3M2595V4KT
- CAS number
- 1341224-83-6
- InChI Key
- ZNSVOHSYDRPBGI-LXWOLXCRSA-N
- InChI
- InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1
- IUPAC Name
- N-{2-oxo-2-[(3S)-3-{[(1r,4r)-4-hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl]amino}pyrrolidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide
- SMILES
- [H][C@@]1(CC[C@](O)(CC1)C1=CC=C(C=N1)C1=NC=CC=N1)N[C@H]1CCN(C1)C(=O)CNC(=O)C1=CC(=CC=C1)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 28529027
- BindingDB
- 50382932
- ChEMBL
- CHEMBL2029422
- ZINC
- ZINC000253387968
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Osteoarthritis of the Knee 1 2 Terminated Treatment Chronic Hepatitis C Virus (HCV) Infection 1 2 Terminated Treatment Metastatic Pancreatic Ductal Adenocarcinoma (PDAC) 1 1 Completed Basic Science Healthy Volunteers (HV) 1 1 Completed Treatment Pancreatic Neoplasms 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 0.0148 mg/mL ALOGPS logP 1.92 ALOGPS logP 2.08 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 13.36 Chemaxon pKa (Strongest Basic) 9.73 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 120.34 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 155.73 m3·mol-1 Chemaxon Polarizability 56.76 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 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 November 24, 2022 22:46 / Updated at December 01, 2022 11:36