butaprost (free acid form)
SMILES | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O |
InChIKey | PAYNQYXOKJDXAV-ZHIWTBQHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 394.3 |
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 | 5.9 | 6.45 | 7.0 | Guide to Pharmacology |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.78 | 5.78 | 5.78 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
IP | PI2R | Human | Prostanoid | A | pKi | 4.3 | 4.3 | 4.3 | Guide to Pharmacology |
TP | TA2R | Human | Prostanoid | A | pKi | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
EP3 | PE2R3 | Rat | Prostanoid | A | pKi | 4.93 | 4.93 | 4.93 | Guide to Pharmacology |
EP2 | PE2R2 | Rat | Prostanoid | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pKi | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
IP | PI2R | Human | Prostanoid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKi | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |