TARLOXOTINIB BROMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3Y31FJ8K50

Structure
InChI Key WAKIMVYUBWMMHJ-FXRZFVDSSA-N
Smile Cn1cnc([N+](=O)[O-])c1C[N+](C)(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1.[Br-]
InChI
InChI=1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36);1H/b5-4+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24Br2ClN9O3
Molecular Weight 681.78
AlogP 4.6
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 140.76
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297662
FDA SRS 3Y31FJ8K50
PubChem 51038315
SureChEMBL SCHEMBL11902818
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