(-)-stepholidine
| SMILES | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O |
| InChIKey | JKPISQIIWUONPB-HNNXBMFYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 327.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.29 | 8.29 | 8.29 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.94 | 7.94 | 7.94 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.24 | 8.3 | 8.36 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 5.43 | 5.63 | 5.84 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.91 | 8.22 | 8.47 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.05 | 7.45 | 7.63 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.01 | 6.88 | 7.96 | ChEMBL |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Rat | Dopamine | A | pEC50 | 4.39 | 4.39 | 4.39 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 7.91 | 7.91 | 7.91 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.36 | 6.17 | 6.98 | ChEMBL |