BRIVANIB ALANINATE


Synonyms	BMS-582664 BMS-582664-02 Brivanib alaninate Brivanib l-alanine ester
Status
Molecule Category	UNKNOWN
UNII	U2Y5OFN795
EPA CompTox	DTXSID20215295


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	LTEJRLHKIYCEOX-OCCSQVGLSA-N
Smiles	Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
InChI	InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1

Mechanism of Action	Action	Reference
Fibroblast growth factor receptor inhibitor	INHIBITOR	PubMed PubMed


Protein: Fibroblast growth factor receptor Description: Fibroblast growth factor receptor 1 Organism : Homo sapiens P11362 ENSG00000077782











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 1 Organism : Homo sapiens P17948 ENSG00000102755











Protein: Fibroblast growth factor receptor Description: Fibroblast growth factor receptor 2 Organism : Homo sapiens P21802 ENSG00000066468











Protein: Fibroblast growth factor receptor Description: Fibroblast growth factor receptor 4 Organism : Homo sapiens P22455 ENSG00000160867










Protein: Fibroblast growth factor receptor Description: Fibroblast growth factor receptor 3 Organism : Homo sapiens P22607 ENSG00000068078











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 3 Organism : Homo sapiens P35916 ENSG00000037280











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 2 Organism : Homo sapiens P35968 ENSG00000128052

Assay Description	Organism	Bioactivity
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	3.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	-4.18 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-1.898 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	11.27 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	11.27 %

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