cloprostenol
SMILES | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O |
InChIKey | VJGGHXVGBSZVMZ-QIZQQNKQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 424.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.7 | 6.9 | 7.1 | Guide to Pharmacology |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.9 | 7.05 | 7.2 | Guide to Pharmacology |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 8.23 | 8.2 | Guide to Pharmacology |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.4 | 5.95 | 6.5 | Guide to Pharmacology |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
M4 | ACM4 | Mouse | Acetylcholine (muscarinic) | A | pKd | 7.95 | 7.95 | 7.95 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 8.0 | 8.21 | 8.52 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.9 | 7.95 | 8.0 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.1 | 7.15 | 7.2 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.96 | 7.99 | 8.06 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.98 | 7.01 | 7.03 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.32 | 8.0 | 8.35 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 6.78 | 6.8 | 6.83 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.8 | 7.28 | 8.35 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 8.15 | 8.4 | Guide to Pharmacology |
M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKd | 8.27 | 8.27 | 8.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.76 | 7.76 | 7.76 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |