sumanirole
| SMILES | CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3 |
| InChIKey | RKZSNTNMEFVBDT-MRVPVSSYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 203.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 7.86 | 7.86 | 7.86 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pKi | 5.93 | 5.93 | 5.93 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.28 | 7.28 | 7.28 | ChEMBL |