Molecule Details
| InChIKey | NTSPHKOMJMBWOU-NNKXXINSSA-N |
|---|---|
| Canonical SMILES | COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC#N)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07596 |
|---|---|
| Drug Name | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50372895 CHEMBL408967 ChemSpider: 9363982 PDB: CTF PubChem:11188898 PubChem:99444067 ZINC: ZINC000029135869
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00918 | CA2 | Carbonic anhydrase 2 | binder | targets |