Molecule Details
| InChIKey | IYOZTVGMEWJPKR-IJLUTSLNSA-N |
|---|---|
| Canonical SMILES | C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08756 |
|---|---|
| Drug Name | Y-27632 |
| CAS Number | 146986-50-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Y-27632 is an inhibitor of Rho-associated protein kinase. It inhibits calcium sensitization to affect smooth muscle relaxation. |
Categories: Antihypertensive Agents Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Neuromuscular Agents Peripheral Nervous System Agents
Cross-references: BindingDB: 14029 ChEBI: 75393 CHEMBL559147 ChemSpider: 20016532 PDB: Y27 PubChem:448042 PubChem:99445227 Wikipedia: Y-27632
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.8 | Ki | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75116 | ROCK2 | Rho-associated protein kinase 2 | binder | targets |
| P17612 | PRKACA | cAMP-dependent protein kinase catalytic subunit alpha | binder | targets |
| P61925 | P61925 | cAMP-dependent protein kinase inhibitor alpha | binder | targets |
| Q13464 | ROCK1 | Rho-associated protein kinase 1 | binder | targets |
| P00734 | F2 | Prothrombin | inhibitor | targets |