Cl-amidine

Ligand id: 8685

Name: Cl-amidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 108.07
Molecular weight 310.12
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide
Database Links
CAS Registry No. 913723-61-2 (source: PubChem)
ChEMBL Ligand CHEMBL1962361
GtoPdb PubChem SID 252166885
PubChem CID 24970878
Search Google for chemical match using the InChIKey BPWATVWOHQZVRP-NSHDSACASA-N
Search Google for chemicals with the same backbone BPWATVWOHQZVRP
Search UniChem for chemical match using the InChIKey BPWATVWOHQZVRP-NSHDSACASA-N
Search UniChem for chemicals with the same backbone BPWATVWOHQZVRP
Comments
Cl-amidine is an inhihbitor of protein arginine deiminases (PADIs). Although reported to preferentially inhibit PADI1, isozyme selectivity is poor [1].