BAY-6672
SMILES | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 |
InChIKey | YQOLEILXOBUDMU-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 543.1 |
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 |
FP | PF2R | Human | Prostanoid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FP | PF2R | Human | Prostanoid | A | pIC50 | 7.66 | 7.66 | 7.66 | Guide to Pharmacology |
FP | PF2R | Rat | Prostanoid | A | pIC50 | 7.28 | 7.62 | 7.96 | ChEMBL |
FP | PF2R | Human | Prostanoid | A | pIC50 | 7.66 | 7.81 | 7.96 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
FP | PF2R | Mouse | Prostanoid | A | pIC50 | 7.75 | 7.83 | 7.92 | ChEMBL |