Molecule Details
| InChIKey | WORSVFBVUCBRIP-VNQPRFMTSA-N |
|---|---|
| Compound Name | Solimastat |
| Canonical SMILES | CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19872 |
|---|---|
| Drug Name | Solimastat |
| CAS Number | 226072-63-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Solimastat is a small molecule drug. The usage of the INN stem '-mastat' in the name indicates that Solimastat is a matrix metalloproteinase inhibitor. Solimastat has a monoisotopic molecular weight of 408.24 Da. |
Categories: Amines Hydroxy Acids Hydroxylamines Metalloendopeptidases, antagonists & inhibitors Pyridines
Cross-references: BindingDB: 50592899 CHEMBL2107228 ZINC: ZINC000003820443
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 8.3 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.2 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.1 | IC50 | ChEMBL;BindingDB |