JNK inhibitor IX   

GtoPdb Ligand ID: 5996

Synonyms: AC1LG8KT | BAS 01816608 | TCS JNK 5a
Compound class: Synthetic organic
Comment: Selective inhibitor of JNK2 and JNK3.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 81.13
Molecular weight 332.1
XLogP 3.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2
Isomeric SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2
InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
InChI Key WQGDQGAFSDMBLA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
Synonyms
AC1LG8KT | BAS 01816608 | TCS JNK 5a
Database Links
CAS Registry No. 312917-14-9
ChEMBL Ligand CHEMBL233001
GtoPdb PubChem SID 178102618
PubChem CID 766949
Search Google for chemical match using the InChIKey WQGDQGAFSDMBLA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WQGDQGAFSDMBLA
Search UniChem for chemical match using the InChIKey WQGDQGAFSDMBLA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WQGDQGAFSDMBLA

Product suppliers

View disclaimer

Tocris
TCS JNK 5a
Cat. No. 2827