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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL377300
CHEMBL377300
Compound Name BRIVANIB
ChEMBL Synonyms BRIVANIB | BMS-540215
Max Phase 3
Trade Names
Molecular Formula C19H19FN4O3

Additional synonyms for CHEMBL377300 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Standard InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27- ...
Download InChI
Standard InChI Key WCWUXEGQKLTGDX-LLVKDONJSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL377300

Molecule Features

CHEMBL377300 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Fibroblast growth factor receptor inhibitor Fibroblast growth factor receptor PubMed PubMed
Vascular endothelial growth factor receptor inhibitor Vascular endothelial growth factor receptor PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CarcinomaD002277EFO:0000313carcinoma3ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
Colorectal NeoplasmsD015179EFO:0000365colorectal adenocarcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov BRIVANIB
The Cochrane Collaboration BRIVANIB

Metabolites for CHEMBL377300

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL377300. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 1.000
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 1.000
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 1.000
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 1.000
CHEMBL6166 Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens 1.000
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 0.998
CHEMBL3337 Vascular endothelial growth factor receptor 2 Mus musculus 0.947
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.340
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.236



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5518 Misshapen-like kinase 1 Homo sapiens 1.000
CHEMBL6166 Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens 1.000
CHEMBL5836 Ephrin type-B receptor 6 Homo sapiens 1.000
CHEMBL4526 Ephrin type-A receptor 6 Homo sapiens 1.000
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 1.000
CHEMBL5014 Serine/threonine-protein kinase RIPK2 Homo sapiens 1.000
CHEMBL4852 Mitogen-activated protein kinase kinase kinase kinase 5 Homo sapiens 1.000
CHEMBL4948 Dual specificity mitogen-activated protein kinase kinase 5 Homo sapiens 1.000
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 1.000
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 1.000
CHEMBL5274 Tyrosine-protein kinase receptor Tie-1 Homo sapiens 1.000
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 1.000
CHEMBL4014 Tyrosine-protein kinase ABL2 Homo sapiens 1.000
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 1.000
CHEMBL6005 Serine/threonine-protein kinase 33 Homo sapiens 1.000
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.999
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 0.999
CHEMBL3337 Vascular endothelial growth factor receptor 2 Mus musculus 0.991
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 0.933
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 0.873

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
370.4 370.1441 3.52 5 84.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.93 2.93 4 27 0.56

Structural Alerts

There are no structural alerts for CHEMBL377300

Compound Cross References

ChemSpider ChemSpider:WCWUXEGQKLTGDX-LLVKDONJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL377300



ACToR 649735-46-6
BindingDB 50184807
ChEBI 94562
DrugBank DB11958
eMolecules 31229562
EPA CompTox Dashboard DTXSID60215294
FDA SRS DDU33B674I
Guide to Pharmacology 5671
IBM Patent System 49D5C1BD7F0F73557D9BE07F507A54F5
LINCS LSM-5421
MolPort MolPort-009-679-414
Nikkaji J2.765.119D
PubChem 11234052
PubChem: Thomson Pharma 16317953
Selleck Brivanib
SureChEMBL SCHEMBL1227589
ZINC ZINC000013684256

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WCWUXEGQKLTGDX-LLVKDONJSA-N spacer
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