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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15F2IN4O4
Molecular Weight 504.2267
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-733

SMILES

CN1C(=O)C(F)=C(NC2=CC=C(I)C=C2F)C3=C1N=CN(C[C@@H](O)CO)C3=O

InChI

InChIKey=RCLQNICOARASSR-SECBINFHSA-N
InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1

HIDE SMILES / InChI
Molecular Formula C17H15F2IN4O4
Molecular Weight 504.2267
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:37 UTC 2023
Edited
by admin
on Sat Dec 16 08:35:37 UTC 2023
Record UNII
5J61HSP0QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-733
Code English
MEK INHIBITOR TAK-733
Common Name English
TAK 733 [WHO-DD]
Common Name English
3-[(2R)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
Systematic Name English
REC-4881
Code English
(R)-3-(2,3-DIHYDROXYPROPYL)-6-FLUORO-5-(2-FLUORO-4-IODOPHENYLAMINO)-8-METHYLPYRIDO(2,3-D)PYRIMIDINE-4,7(3H,8H)-DIONE
Systematic Name English
TAK733
Code English
Classification Tree Code System Code
NCI_THESAURUS C69145
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
FDA ORPHAN DRUG 817621
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20648089
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL1615025
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
PUBCHEM
24963252
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
FDA UNII
5J61HSP0QJ
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
DRUG BANK
DB12241
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
SMS_ID
300000041469
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
CAS
1035555-63-5
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
NCI_THESAURUS
C84858
Created by admin on Sat Dec 16 08:35:37 UTC 2023 , Edited by admin on Sat Dec 16 08:35:37 UTC 2023
PRIMARY
Related Record Type Details
MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 2
TARGET -> INHIBITOR
ALLOSTERIC INHIBITOR
DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
TARGET -> INHIBITOR
ALLOSTERIC INHIBITOR
IC50
Related Record Type Details
Structure of TAK-733
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