BRIVANIB ALANINATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U2Y5OFN795

Structure
InChI Key LTEJRLHKIYCEOX-OCCSQVGLSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24FN5O4
Molecular Weight 441.46
AlogP 3.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 116.76
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 3 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 46183 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 8443 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 1039 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - 3896 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 1892 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 7483 - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 7.33-48.11

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 649735-63-7
ChEBI 167656
ChEMBL CHEMBL270995
DrugBank DB11865
EPA CompTox DTXSID20215295
FDA SRS U2Y5OFN795
Guide to Pharmacology 8097
PubChem 11154925
SureChEMBL SCHEMBL483382
ZINC ZINC000029134440
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