PD168,077
SMILES | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C |
InChIKey | DNULYRGWTFLJQL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 334.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
D4 | DRD4 | Rat | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
A2B | AA2BR | Rat | Adenosine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 4.74 | 5.85 | 7.6 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.77 | 8.06 | 8.64 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.33 | 5.44 | 5.55 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.43 | 5.6 | 5.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 8.1 | 8.1 | 8.1 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.77 | 8.02 | 8.16 | ChEMBL |