CHEMBL3947001
SMILES | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 |
InChIKey | MHFAQSOESHOPMP-YDNXMHBPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 443.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |
EP1 | PE2R1 | Human | Prostanoid | A | pEC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 8.3 | 8.76 | 9.22 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 8.15 | 8.15 | 8.15 | ChEMBL |