IKK-2 inhibitor IV

Ligand id: 5986

Name: IKK-2 inhibitor IV

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 126.45
Molecular weight 279.05
XLogP 1.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
Synonyms
TPCA-1 | TPCA1
Database Links
CAS Registry No. 507475-17-4
ChEMBL Ligand CHEMBL257167
PubChem CID 9903786
RCSB PDB Ligand NM7
Search Google for chemical match using the InChIKey SAYGKHKXGCPTLX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SAYGKHKXGCPTLX
Search UniChem for chemical match using the InChIKey SAYGKHKXGCPTLX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SAYGKHKXGCPTLX
Comments
This compound is an inhibitor of IKKβ (IKK2) [3].