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Details

Stereochemistry RACEMIC
Molecular Formula C23H21FN4S
Molecular Weight 404.503
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ML-3403

SMILES

CSC1=NC(=C(N1)C2=CC(NC(C)C3=CC=CC=C3)=NC=C2)C4=CC=C(F)C=C4

InChI

InChIKey=VXPWQNBKEIVYIS-UHFFFAOYSA-N
InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H21FN4S
Molecular Weight 404.503
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.38 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:50:57 UTC 2023
Edited
by admin
on Sat Dec 16 05:50:57 UTC 2023
Record UNII
VW1528F5YP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ML-3403
Common Name English
P38 MAP KINASE INHIBITOR III
Common Name English
ML3403
Code English
2-PYRIDINAMINE, 4-(5-(4-FLUOROPHENYL)-2-(METHYLTHIO)-1H-IMIDAZOL-4-YL)-N-(1-PHENYLETHYL)-
Systematic Name English
2-PYRIDINAMINE, 4-(4-(4-FLUOROPHENYL)-2-(METHYLTHIO)-1H-IMIDAZOL-5-YL)-N-(1-PHENYLETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6419739
Created by admin on Sat Dec 16 05:50:57 UTC 2023 , Edited by admin on Sat Dec 16 05:50:57 UTC 2023
PRIMARY
CAS
549505-65-9
Created by admin on Sat Dec 16 05:50:57 UTC 2023 , Edited by admin on Sat Dec 16 05:50:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID301336897
Created by admin on Sat Dec 16 05:50:57 UTC 2023 , Edited by admin on Sat Dec 16 05:50:57 UTC 2023
PRIMARY
FDA UNII
VW1528F5YP
Created by admin on Sat Dec 16 05:50:57 UTC 2023 , Edited by admin on Sat Dec 16 05:50:57 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY