BIMATOPROST


Trade Names	BIMATOPROST LATISSE LUMIGAN
Synonyms	AGN 192024 AGN-192024 Bimatoprost Durysta Latisse Lumigan Prostamide
Status
Molecule Category	UNKNOWN
ATC	S01EE03
UNII	QXS94885MZ
EPA CompTox	DTXSID30895042


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	40400	-	-	-

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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).