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

Identification

Generic Name
Bemcentinib
DrugBank Accession Number
DB12411
Background

Bemcentinib has been investigated for the treatment of Non-Small Cell Lung Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 506.658
Monoisotopic: 506.290643127
Chemical Formula
C30H34N8
Synonyms
  • Bemcentinib
External IDs
  • BGB-324
  • BGB324
  • R428

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Aralkylamines
Alternative Parents
Pyridazines and derivatives / N-alkylpyrrolidines / Benzenoids / Triazoles / Heteroaromatic compounds / Trialkylamines / Secondary amines / Azacyclic compounds / Primary amines / Hydrocarbon derivatives
Substituents
1,2,4-triazole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / N-alkylpyrrolidine / Organoheterocyclic compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0ICW2LX8AS
CAS number
1037624-75-1
InChI Key
KXMZDGSRSGHMMK-VWLOTQADSA-N
InChI
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
IUPAC Name
1-{3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl}-N3-[(7S)-7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-1H-1,2,4-triazole-3,5-diamine
SMILES
NC1=NC(NC2=CC=C3CC[C@@H](CCC3=C2)N2CCCC2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2

References

General References
Not Available
PubChem Compound
46215462
PubChem Substance
347828656
ChemSpider
28637805
BindingDB
50172079
ChEMBL
CHEMBL3809489
ZINC
ZINC000051951669
Wikipedia
Bemcentinib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentAcute Myeloid Leukemia (AML) / High-risk Myelodysplastic Syndrome (MDS) / Low Risk Myelodysplastic Syndrome1
2CompletedTreatmentCoronavirus Disease 2019 (COVID‑19)1
2RecruitingTreatmentAdenocarcinoma of Lung (Disorder) / Metastatic Lung Cancer / Stage IV, NSCLC1
2RecruitingTreatmentMalignant Pleural Mesothelioma (MPM)1
2TerminatedTreatmentInflammatory carcinoma of breast stage IV / Triple Negative Breast Cancer1
1RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
1, 2Active Not RecruitingTreatmentAcute Myeloid Leukemia (AML) / Myelodysplastic Syndromes (MDS)1
1, 2CompletedTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
1, 2RecruitingTreatmentCancer of Pancreas1
1, 2RecruitingTreatmentMalignant Melanoma of Skin1

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 Solubility0.0081 mg/mLALOGPS
logP5.14ALOGPS
logP6.2ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)11.76ChemAxon
pKa (Strongest Basic)10.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area97.78 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity154.89 m3·mol-1ChemAxon
Polarizability59.16 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 22:17 / Updated at August 13, 2021 04:44