CHEMBL568637
SMILES | COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC |
InChIKey | OIYJVYFIYZCHNR-AREMUKBSSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 612.2 |
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 |
UT | UR2R | Human | Urotensin | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
UT | UR2R | Rat | Urotensin | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
UT | UR2R | Human | Urotensin | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |