Molecule Details
InChIKeyVDSRTRLFYMNHAU-XTJUCFOSSA-N
Compound Name(2S)-N-[(2S)-1-[[(2S)-3-amino-1-[[(2S)-1-[(2S)-2-[1-(cyclohexylmethyl)-4-phenylimidazol-2-yl]pyrrolidin-1-yl]-3-cyclopentyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylpentanoyl)pyrrolidine-2-carboxamide
Canonical SMILESCC(C)CCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cn1CC1CCCCC1)C(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.3
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P42568 MLLT3 Homo sapiens Human PF17793 PF03366 7.6 Ki ChEMBL;BindingDB
Q8TEK3 DOT1L Homo sapiens Human PF08123 7.6 Ki ChEMBL
Q03111 MLLT1 Homo sapiens Human PF17793 PF03366 6.6 Ki ChEMBL;BindingDB