Molecule Details
| InChIKey | GGXCFYSNPLBURZ-FQEVSTJZSA-N |
|---|---|
| Compound Name | (S)-methyl 9a-butyl-7-oxo-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole-6-carboxylate |
| Canonical SMILES | CCCC[C@@]12CCC(=O)C(C(=O)OC)=C1c1ccc3[nH]ncc3c1C2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.28 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.3 | pIC50 | TTD_MultiTarget |