Molecule Details
| InChIKey | CMLVKUWQFZQPPS-YUNKPMOVSA-N |
|---|---|
| Compound Name | Aldumastat |
| Canonical SMILES | C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18824 |
|---|---|
| Drug Name | Aldumastat |
| CAS Number | 1957278-93-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 379697 CHEMBL4650334 ChemSpider: 68011528 PDB: OU5
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UNA0 | ADAMTS5 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF19030 PF00090 | 7.7 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.9 | IC50 | ChEMBL;BindingDB |
| O75173 | ADAMTS4 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF00090 | 6.8 | IC50 | ChEMBL;BindingDB |