DICUMAROL
SMILES | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O |
InChIKey | DOBMPNYZJYQDGZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 336.1 |
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 |
GPR35 | GPR35 | Human | A orphans | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 5.01 | 5.6 | 5.89 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |