UNC9975
SMILES | O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl |
InChIKey | JQSRFMXTGAVHIR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 462.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.59 | 8.59 | 8.59 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.59 | 8.81 | 8.92 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.96 | 8.96 | 8.96 | Guide to Pharmacology |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.89 | 8.39 | 8.8 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |