Molecule Details
| InChIKey | AYFCYVLVRYQGME-QGZVFWFLSA-N |
|---|---|
| Compound Name | (1R)-N,6-Dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3[C@@H]2C(=O)NO)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08170 |
|---|---|
| Drug Name | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: ChemSpider: 13085320 PDB: MDW PubChem:15942651 PubChem:99444641 ZINC: ZINC000013588276
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51511 | MMP15 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 8.2 | IC50 | BindingDB |
| P51512 | MMP16 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.8 | IC50 | BindingDB |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.7 | IC50 | BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.6 | IC50 | BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.3 | IC50 | BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.2 | IC50 | BindingDB |
| Q9NRE1 | MMP26 | Homo sapiens | Human | PF00413 | 7.1 | IC50 | BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.9 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P09237 | MMP7 | Matrilysin | binder | targets |