bimatoprost (free acid form)
SMILES | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O |
InChIKey | YFHHIZGZVLHBQZ-KDACTHKWSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 388.2 |
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 |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 10.3 | 10.3 | 10.3 | Guide to Pharmacology |
MT2 | MTR1B | Mouse | Melatonin | A | pKi | 10.3 | 10.3 | 10.3 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 10.3 | 10.3 | 10.3 | ChEMBL |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |