ILOPROST
SMILES | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O |
InChIKey | HIFJCPQKFCZDDL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 360.2 |
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 |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 7.68 | 7.68 | 7.68 | PDSP Ki database |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 5.64 | 5.64 | 5.64 | PDSP Ki database |
IP | PI2R | Mouse | Prostanoid | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
EP3 | PE2R3 | Bovine | Prostanoid | A | pKi | 6.58 | 6.58 | 6.58 | PDSP Ki database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.73 | 6.14 | 6.55 | PDSP Ki database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 5.99 | 5.99 | 5.99 | PDSP Ki database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 7.25 | 7.25 | 7.25 | PDSP Ki database |
FP | PF2R | Human | Prostanoid | A | pKi | 6.21 | 6.21 | 6.21 | PDSP Ki database |
IP | PI2R | Human | Prostanoid | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |