CHEMBL578203
SMILES | COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC |
InChIKey | HNHVMPSSZUKSGA-HHHXNRCGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 12 |
Molecular weight (Da) | 626.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
UT | UR2R | Human | Urotensin | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
UT | UR2R | Rat | Urotensin | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
UT | UR2R | Human | Urotensin | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |