UNC0006
SMILES | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl |
InChIKey | NGCKUAWDNUFNBB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 461.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.96 | 6.08 | 6.21 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.08 | 6.28 | 6.47 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 8.08 | 9.22 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 8.57 | 9.22 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.22 | 8.22 | 9.22 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.3 | 8.83 | 9.7 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.8 | 8.26 | 8.72 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.7 | 6.91 | 7.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.57 | 7.66 | 8.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.92 | 8.92 | 8.92 | Guide to Pharmacology |