BMS-813160
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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
- BMS-813160
- DrugBank Accession Number
- DB16240
- Background
BMS-813160 is under investigation in clinical trial NCT03496662 (BMS-813160 With Nivolumab and Gemcitabine and Nab-paclitaxel in Borderline Resectable and Locally Advanced Pancreatic Ductal Adenocarcinoma (PDAC)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 484.649
Monoisotopic: 484.32742256 - Chemical Formula
- C25H40N8O2
- Synonyms
- Not Available
- External IDs
- BMS-813160
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
- 83U7957287
- CAS number
- 1286279-29-5
- InChI Key
- CMVHFGNTABZQJU-HCXYKTFWSA-N
- InChI
- InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1
- IUPAC Name
- N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-({7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl}amino)-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
- SMILES
- CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC2=NC=NC3=CC(=NN23)C(C)(C)C)C1=O)NC(C)(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 71061479
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Hepatocellular Carcinoma / Non-Small Cell Lung Cancer (NSCLC) 1 2 Completed Treatment Advanced Malignant Neoplasm 1 2 Terminated Treatment Diabetic Kidney Disease (DKD) 1 1 Completed Basic Science Accelerated Intimal Hyperplasia 1 1, 2 Active Not Recruiting Treatment Pancreatic Ductal Adenocarcinoma (PDAC) 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 0.0178 mg/mL ALOGPS logP 2.34 ALOGPS logP 1.63 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 13.82 Chemaxon pKa (Strongest Basic) 10.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 116.55 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 146.59 m3·mol-1 Chemaxon Polarizability 53.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000f-0000900000-16350e5457e977961ccd Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0016-0000900000-266096685b5bbab3f41b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009600000-b34b2687332f45756d4d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-008l-1020900000-b5860b54ee519dfff0ba Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-102i-0187900000-de25fe838be17b22c441 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pc0-1369600000-054e8af4cae12efb52c4 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:39