N-0437
SMILES | CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O |
InChIKey | KFQYTPMOWPVWEJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 315.2 |
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 | 5.66 | 5.66 | 5.66 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |