PG01037
SMILES | O=C(c1ccc(cc1)c1ccccn1)NC/C=C/CN1CCN(CC1)c1cccc(c1Cl)Cl |
InChIKey | ZMYOIZHRXABMFZ-ONEGZZNKSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 480.1 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.26 | 6.4 | 6.43 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.68 | 9.13 | 9.5 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 7.04 | 7.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.09 | 7.09 | 7.09 | ChEMBL |