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Details

Stereochemistry ACHIRAL
Molecular Formula C28H31F3N8O2
Molecular Weight 568.5933
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Firmonertinib

SMILES

CN(C)CCN(C)C1=NC(OCC(F)(F)F)=C(NC2=NC=CC(=N2)C3=CN(C)C4=C3C=CC=C4)C=C1NC(=O)C=C

InChI

InChIKey=GHKOONMJXNWOIW-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C28H31F3N8O2
Molecular Weight 568.5933
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:02:13 GMT 2023
Edited
by admin
on Sat Dec 16 15:02:13 GMT 2023
Record UNII
A49A7A5YN4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Firmonertinib
INN  
Official Name English
AST-2818
Code English
AST2818
Code English
Furmonertinib [WHO-DD]
Common Name English
ALFLUTINIB
Common Name English
N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide
Systematic Name English
firmonertinib [INN]
Common Name English
FURMONERTINIB
Common Name English
2-PROPENAMIDE, N-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-6-(2,2,2-TRIFLUOROETHOXY)-3-PYRIDINYL)-
Common Name English
Code System Code Type Description
PUBCHEM
118861389
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
FDA UNII
A49A7A5YN4
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
SMS_ID
300000039589
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
CAS
1869057-83-9
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
NCI_THESAURUS
C180535
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
INN
12503
Created by admin on Sat Dec 16 15:02:14 GMT 2023 , Edited by admin on Sat Dec 16 15:02:14 GMT 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
Potent irreversible inhibitor of EGFR harbouring resistance (T790M) or activating (L858R and exon 19 deletions) mutations [6]. The half maximal inhibitory concentration (IC50) of furmonertinib against these mutant EGFRs is ≈ 1 nmol/L, which is lower than its IC50 against wild-type EGFR.
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Potent irreversible inhibitor of EGFR harbouring resistance (T790M) or activating (L858R and exon 19 deletions) mutations [6]. The half maximal inhibitory concentration (IC50) of furmonertinib against these mutant EGFRs is ≈ 1 nmol/L, which is lower than its IC50 against wild-type EGFR.
IC50
TARGET -> INHIBITOR
Potent irreversible inhibitor of EGFR harbouring resistance (T790M) or activating (L858R and exon 19 deletions) mutations [6]. The half maximal inhibitory concentration (IC50) of furmonertinib against these mutant EGFRs is ≈ 1 nmol/L, which is lower than its IC50 against wild-type EGFR.
IC50
METABOLIC ENZYME -> INDUCER
Similar to rifampin in its potency to induce CYP3A4
MAJOR
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METABOLITE ACTIVE -> PARENT
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ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
BRAIN/PLASMA RATIO PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC