quinelorane
SMILES | CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N |
InChIKey | TUFADSGTJUOBEH-ZWNOBZJWSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 246.2 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.5 | 5.6 | 5.7 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.03 | 9.03 | 9.03 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.2 | 7.3 | 7.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.35 | 7.62 | 8.7 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |