NGB 2904
SMILES | O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl |
InChIKey | YJPWVCIGSHWNON-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 493.2 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.85 | 8.92 | 8.96 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.57 | 8.83 | 9.63 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKd | 8.7 | 8.7 | 8.7 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.16 | 6.85 | 7.26 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.04 | 6.25 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.84 | 7.99 | 8.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |