Molecule Details
InChIKeyNLRAPGZQIDDHNZ-MALMBIFMSA-N
Compound Name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide
Canonical SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.42
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 6.6 Ki ChEMBL;BindingDB
P08173 CHRM4 Homo sapiens Human PF00001 6.4 Ki ChEMBL;BindingDB
P11229 CHRM1 Homo sapiens Human PF00001 6.3 Ki ChEMBL;BindingDB