Molecule Details
InChIKeyOVWABJJHOAGNSE-FKBNJGARSA-O
Compound Name[(6S)-6-amino-7-[[N'-[(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]amino]-7-oxoheptyl]-trimethylazanium
Canonical SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.02
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30989 NTSR1 Homo sapiens Human PF00001 9.3 IC50 ChEMBL;BindingDB
O95665 NTSR2 Homo sapiens Human PF00001 8.5 IC50 ChEMBL;BindingDB
Q99523 SORT1 Homo sapiens Human PF15902 PF15901 6.3 IC50 ChEMBL;BindingDB