Molecule Details
InChIKeyYXKFMTLNLUJJKO-RGKNPDAKSA-N
Compound NameCID 155556119
Canonical SMILESN=C(N)NCCC[C@H](NC(=O)CNC(=O)C(CCCCNC(=O)CCCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC2=O)nn1)NC(=O)CCCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC2=O)nn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.18
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P36544 CHRNA7 Homo sapiens Human PF02931 PF02932 7.2 IC50 ChEMBL;BindingDB
Q9UGM1 CHRNA9 Homo sapiens Human PF02931 PF02932 7.2 IC50 ChEMBL
Q9GZZ6 CHRNA10 Homo sapiens Human PF02931 PF02932 7.2 IC50 ChEMBL;BindingDB