CHEMBL115769
SMILES | COc1cc(N)[nH]c2nc(-c3ccc(F)cc3)c(-c3ccncc3)c1-2 |
InChIKey | ADQZGIYHFQQPRB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 334.1 |
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 |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.91 | 5.91 | 5.91 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.05 | 6.05 | 6.05 | ChEMBL |