CHEMBL582877
SMILES | CC1(C)N=C(N)N=C(Nc2cccc(Br)c2)N1 |
InChIKey | ODCAEXNEGXTNBY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 1 |
Molecular weight (Da) | 295.0 |
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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.49 | 6.49 | 6.49 | ChEMBL |