ALFLUTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A49A7A5YN4

Structure
InChI Key GHKOONMJXNWOIW-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C
InChI
InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31F3N8O2
Molecular Weight 568.6
AlogP 4.84
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 100.44
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Adenocarcinoma of Lung 2 D000077192 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL4297258
DrugBank DB16087
FDA SRS A49A7A5YN4
Guide to Pharmacology 10477
PubChem 118861389
SureChEMBL SCHEMBL17490447
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