beraprost
SMILES | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 |
InChIKey | CTPOHARTNNSRSR-APJZLKAGSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 398.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
IP | PI2R | Rat | Prostanoid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
IP | PI2R | Mouse | Prostanoid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
IP | PI2R | Human | Prostanoid | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |