CHEMBL3099899
SMILES | COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC |
InChIKey | VDWKDBPHAPPUBO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 493.1 |
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-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.98 | 5.98 | 5.98 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |