Molecule Details
InChIKeyAVCGYVHCLDMOAW-GFUWAVFVSA-N
Compound Name(1S,2S,5RS)-N-hydroxy-5-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide
Canonical SMILESCN1CCN(C(=O)CC2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)NO)C2)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.29
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O14672 ADAM10 Homo sapiens Human PF21299 PF00200 PF13574 7.5 IC50 ChEMBL;BindingDB
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 7.2 pIC50 TTD_MultiTarget
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.2 pIC50 TTD_MultiTarget