Molecule Details
| InChIKey | DOOGDICMBOTQOZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | cyclopropylmethyl 4'-amino-2'-methylspiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-b]pyridine]-3'-carboxylate |
| Canonical SMILES | Cc1nc2sc3c(c2c(N)c1C(=O)OCC1CC1)CCC1(C3)OCCO1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.06 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |