CHEMBL4644391
SMILES | N#Cc1ccc2nn(CCCCN3CCN(c4cccc5sccc45)CC3)c(=O)n2c1 |
InChIKey | LDAHGSIPSNYPMF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 432.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.01 | 8.01 | 8.01 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.56 | 7.56 | 7.56 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.99 | 8.99 | 8.99 | ChEMBL |