Molecule Details
InChIKeyGXQAMXKWCFMGON-VXNVPORPSA-N
Compound Name(2S)-2,5-diamino-N-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[2-[4-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]piperazin-1-yl]ethylamino]pentanoyl]amino]propanoyl]pentanamide
Canonical SMILESC[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.07
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08172 CHRM2 Homo sapiens Human PF00001 10.0 Ki ChEMBL;BindingDB
P11229 CHRM1 Homo sapiens Human PF00001 8.8 Ki ChEMBL;BindingDB
P08173 CHRM4 Homo sapiens Human PF00001 8.4 Ki ChEMBL;BindingDB