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Details

Stereochemistry ACHIRAL
Molecular Formula C26H22Cl2N4O3
Molecular Weight 509.384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BLU-9931

SMILES

COC1=CC(OC)=C(Cl)C(C2=CC3=CN=C(NC4=C(C)C=CC=C4NC(=O)C=C)N=C3C=C2)=C1Cl

InChI

InChIKey=TXEBNKKOLVBTFK-UHFFFAOYSA-N
InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)

HIDE SMILES / InChI

Molecular Formula C26H22Cl2N4O3
Molecular Weight 509.384
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P22455|||Q8TDA0
Gene ID: 2264.0
Gene Symbol: FGFR4
Target Organism: Homo sapiens (Human)
3.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:44 UTC 2023
Edited
by admin
on Sat Dec 16 12:44:44 UTC 2023
Record UNII
FQK825B5DX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BLU-9931
Code English
BLU9931
Code English
N-(2-((6-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-2-QUINAZOLINYL)AMINO)-3-METHYLPHENYL)-2-PROPENAMIDE
Systematic Name English
2-PROPENAMIDE, N-(2-((6-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-2-QUINAZOLINYL)AMINO)-3-METHYLPHENYL)-
Systematic Name English
BLU 9931 [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 490915
Created by admin on Sat Dec 16 12:44:44 UTC 2023 , Edited by admin on Sat Dec 16 12:44:44 UTC 2023
Code System Code Type Description
CAS
1538604-68-0
Created by admin on Sat Dec 16 12:44:44 UTC 2023 , Edited by admin on Sat Dec 16 12:44:44 UTC 2023
PRIMARY
NCI_THESAURUS
C162342
Created by admin on Sat Dec 16 12:44:44 UTC 2023 , Edited by admin on Sat Dec 16 12:44:44 UTC 2023
PRIMARY
FDA UNII
FQK825B5DX
Created by admin on Sat Dec 16 12:44:44 UTC 2023 , Edited by admin on Sat Dec 16 12:44:44 UTC 2023
PRIMARY
PUBCHEM
72710839
Created by admin on Sat Dec 16 12:44:44 UTC 2023 , Edited by admin on Sat Dec 16 12:44:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
Related Record Type Details
ACTIVE MOIETY