BMS-813160

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

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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
ChemSpider
71061479

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentHepatocellular Carcinoma / Non-Small Cell Lung Cancer (NSCLC)1
2CompletedTreatmentAdvanced Malignant Neoplasm1
2TerminatedTreatmentDiabetic Kidney Disease (DKD)1
1CompletedBasic ScienceAccelerated Intimal Hyperplasia1
1, 2Active Not RecruitingTreatmentPancreatic 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
PropertyValueSource
Water Solubility0.0178 mg/mLALOGPS
logP2.34ALOGPS
logP1.63Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)13.82Chemaxon
pKa (Strongest Basic)10.39Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area116.55 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity146.59 m3·mol-1Chemaxon
Polarizability53.99 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-0000900000-16350e5457e977961ccd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0016-0000900000-266096685b5bbab3f41b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009600000-b34b2687332f45756d4d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-008l-1020900000-b5860b54ee519dfff0ba
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-102i-0187900000-de25fe838be17b22c441
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pc0-1369600000-054e8af4cae12efb52c4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:39