fenobam   Click here for help

GtoPdb Ligand ID: 1434

Synonyms: MCN-3377-98
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.8
Molecular weight 266.06
XLogP 1.77
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl
Isomeric SMILES O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl
InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4065 fenobam
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand fenobam
Other databases
CAS Registry No. 57653-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL239800
GtoPdb PubChem SID 135650255
PubChem CID 135497698
RCSB PDB Ligand D7W, D7W
Search Google for chemical match using the InChIKey DWPQODZAOSWNHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DWPQODZAOSWNHB
Search PubMed clinical trials fenobam
Search PubMed titles fenobam
Search PubMed titles/abstracts fenobam
UniChem Compound Search for chemical match using the InChIKey DWPQODZAOSWNHB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DWPQODZAOSWNHB-UHFFFAOYSA-N
Wikipedia Fenobam

Product suppliers

View disclaimer

Fenobam (links to external site)
Cat. No. 2386