BIMATOPROST

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC S01EE03
UNII QXS94885MZ
EPA CompTox DTXSID30895042

Structure

InChI Key AQOKCDNYWBIDND-FTOWTWDKSA-N
Smiles CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChI
InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H37NO4
Molecular Weight 415.57
AlogP 3.15
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 89.79
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid FP receptor agonist AGONIST KEGG PubMed PubMed PubMed PubMed

Target Conservation

Protein: Prostanoid FP receptor
Description: Prostaglandin F2-alpha receptor
Organism : Homo sapiens
P43088 ENSG00000122420

Cross References

Resources Reference
ChEBI 51230
ChEMBL CHEMBL1200963
DrugBank DB00905
DrugCentral 371
FDA SRS QXS94885MZ
Human Metabolome Database HMDB0015041
Guide to Pharmacology 1958
PDB 15M
PharmGKB PA164748867
PubChem 5311027
SureChEMBL SCHEMBL24425
ZINC ZINC000004474405
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