nafadotride
SMILES | CCCCN1CCCC1CNC(=O)c1cc(C#N)c2c(c1OC)cccc2 |
InChIKey | IDZASIQMRGPBCQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 365.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | D4 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.52 | 9.52 | 9.52 | Guide to Pharmacology |
D4 | DRD4 | Rat | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.09 | 9.53 | 9.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |