CHEMBL578206
SMILES | COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC |
InChIKey | WYGHIDQLPZLSFF-NLGDKJDOSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 637.3 |
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 | 7.82 | 7.82 | 7.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
UT | UR2R | Rat | Urotensin | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
UT | UR2R | Human | Urotensin | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |