SC-51322
SMILES | O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1 |
InChIKey | CQBVTZDISUKDSX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 457.1 |
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 |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 6.15 | 6.15 | 6.15 | Guide to Pharmacology |
EP1 | PE2R1 | Human | Prostanoid | A | pKd | 8.1 | 8.1 | 8.1 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pKd | 8.1 | 8.1 | 8.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |