This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
BMS-911543
DrugBank Accession Number
DB12591
Background

BMS-911543 has been used in trials studying the treatment of Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 432.532
Monoisotopic: 432.238607554
Chemical Formula
C23H28N8O
Synonyms
Not Available

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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyridines
Sub Class
Not Available
Direct Parent
Pyrrolopyridines
Alternative Parents
Imidazo-[4,5-c]pyridines / Pyrrole carboxamides / 2-heteroaryl carboxamides / Aminopyridines and derivatives / Substituted pyrroles / N-substituted imidazoles / Imidolactams / Tertiary carboxylic acid amides / Pyrazoles / Heteroaromatic compounds
show 5 more
Substituents
2-heteroaryl carboxamide / Amine / Aminopyridine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7N03P021J8
CAS number
1271022-90-2
InChI Key
JCINBYQJBYJGDM-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
IUPAC Name
N,N-dicyclopropyl-7-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILES
CCN1C(=CC2=C3N(C)C=NC3=C(NC3=NN(C)C(C)=C3)N=C12)C(=O)N(C1CC1)C1CC1

References

General References
Not Available
PubChem Compound
50922691
PubChem Substance
347828810
ChemSpider
29315033
BindingDB
50122318
ChEMBL
CHEMBL3545215
ZINC
ZINC000100468481
PDBe Ligand
50V
PDB Entries
5cf8

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentCancer1

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 Solubility0.748 mg/mLALOGPS
logP3.2ALOGPS
logP2.72ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)11ChemAxon
pKa (Strongest Basic)4.18ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area85.8 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity134.73 m3·mol-1ChemAxon
Polarizability48.82 Å3ChemAxon
Number of Rings6ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 23:04 / Updated at June 12, 2020 16:53