CARBACYCLIN
SMILES | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O |
InChIKey | XZFRIPGNUQRGPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 350.2 |
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 | Mouse | Prostanoid | A | pKi | 7.51 | 7.51 | 7.51 | PDSP Ki database |
FP | PF2R | Mouse | Prostanoid | A | pKi | 5.92 | 5.92 | 5.92 | PDSP Ki database |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 5.64 | 5.64 | 5.64 | PDSP Ki database |
IP | PI2R | Mouse | Prostanoid | A | pKi | 6.96 | 7.37 | 7.78 | PDSP Ki database |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
EP3 | PE2R3 | Bovine | Prostanoid | A | pKi | 5.27 | 5.29 | 5.31 | PDSP Ki database |
FP | PF2R | Bovine | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 7.64 | 7.64 | 7.64 | PDSP Ki database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.03 | 6.24 | 6.45 | PDSP Ki database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 6.88 | 6.88 | 6.88 | PDSP Ki database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 7.85 | 7.85 | 7.85 | PDSP Ki database |
FP | PF2R | Human | Prostanoid | A | pKi | 6.37 | 6.37 | 6.37 | PDSP Ki database |
IP | PI2R | Human | Prostanoid | A | pKi | 6.56 | 7.17 | 7.78 | PDSP Ki database |
DP1 | PD2R | Rat | Prostanoid | A | pKi | 5.45 | 5.45 | 5.45 | PDSP Ki database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 8.32 | 8.32 | 8.32 | Drug Central |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
IP | PI2R | Human | Prostanoid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |