Molecule Details
| InChIKey | KYIGOCCCBXRHNJ-MXVIHJGJSA-N |
|---|---|
| Canonical SMILES | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 43 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (43)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25101 | EDNRA | Homo sapiens | Human | PF00001 | 10.6 | IC50 | ChEMBL;BindingDB |
| P32246 | CCR1 | Homo sapiens | Human | PF00001 | 10.1 | IC50 | ChEMBL;BindingDB |
| P32238 | CCKAR | Homo sapiens | Human | PF00001 PF09193 | 9.9 | IC50 | ChEMBL;BindingDB |
| P25929 | NPY1R | Homo sapiens | Human | PF00001 | 9.9 | IC50 | ChEMBL;BindingDB |
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| P48039 | MTNR1A | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| O43603 | GALR2 | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P25025 | CXCR2 | Homo sapiens | Human | PF00001 | 9.6 | IC50 | ChEMBL;BindingDB |
| P30989 | NTSR1 | Homo sapiens | Human | PF00001 | 9.6 | IC50 | ChEMBL;BindingDB |
| P49146 | NPY2R | Homo sapiens | Human | PF00001 | 9.6 | IC50 | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 9.4 | IC50 | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.4 | IC50 | ChEMBL;BindingDB |
| P30556 | AGTR1 | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
| P32241 | VIPR1 | Homo sapiens | Human | PF00002 PF02793 | 9.3 | IC50 | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| P51449 | RORC | Homo sapiens | Human | PF00104 PF00105 | 9.0 | IC50 | ChEMBL;BindingDB |
| P41146 | OPRL1 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P37288 | AVPR1A | Homo sapiens | Human | PF00001 PF08983 | 9.0 | IC50 | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 8.8 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 8.5 | IC50 | ChEMBL;BindingDB |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 8.3 | IC50 | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |
| P29371 | TACR3 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL;BindingDB |
| P30411 | BDKRB2 | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL;BindingDB |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q92753 | RORB | Homo sapiens | Human | PF00104 PF00105 | 6.5 | IC50 | ChEMBL;BindingDB |