CHEMBL3613879
SMILES | Clc1cccc(N2CCN(CCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl |
InChIKey | ILRFVZOWNPFKOR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 455.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.89 | 7.08 | 7.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.95 | 5.95 | 5.95 | ChEMBL |