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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1051
CHEMBL1051
Compound Name LATANOPROST
ChEMBL Synonyms MONOPOST | XALATAN | XA41 | PHXA41 | LATANOPROST
Max Phase 4 (Approved)
Trade Names MONOPOST | XALATAN | LATANOPROST
Molecular Formula C26H40O5

Additional synonyms for CHEMBL1051 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29 ...
Download InChI
Standard InChI Key GGXICVAJURFBLW-CEYXHVGTSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1051

Molecule Features

CHEMBL1051 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Prostanoid FP receptor agonist Prostanoid FP receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Intraocular PressureD0074292ClinicalTrials
Meniere DiseaseD008575EFO:0006862Meniere disease2ClinicalTrials
GlaucomaD005901EFO:0000516glaucoma4ATC
ClinicalTrials
Glaucoma, Open-AngleD005902EFO:0004190open-angle glaucoma3ClinicalTrials
Ocular HypertensionD009798EFO:1001069ocular hypertension3ClinicalTrials

Clinical Data

ClinicalTrials.gov LATANOPROST
The Cochrane Collaboration LATANOPROST

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1051. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.989
CHEMBL4427 Prostanoid DP receptor Homo sapiens 0.988
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.813
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.440



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 0.982
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 0.828
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.547
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 0.255
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.230

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
432.6 432.2876 4.19 13 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.28 4.28 1 31 0.25

Structural Alerts

There are 5 structural alerts for CHEMBL1051. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01E - ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01EE - Prostaglandin analogues 1)
S01EE01 - latanoprost

ChemSpider ChemSpider:GGXICVAJURFBLW-CEYXHVGTSA-N
DailyMed latanoprost
PubChem SID: 26719861
Wikipedia Latanoprost

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1051



ACToR 130209-82-4
BindingDB 50240648
Brenda 153402 123828 154386
ChEBI 6384
ChemicalBook CB32510403
DrugBank DB00654
DrugCentral 1551
eMolecules 25690727
EPA CompTox Dashboard DTXSID1041057
FDA SRS 6Z5B6HVF6O
Guide to Pharmacology 1961
Human Metabolome Database HMDB0014792
LINCS LSM-43170
MolPort MolPort-003-942-862
NIH Clinical Collection SAM001246671
Nikkaji J458.015J
PubChem 5311221
PubChem: Drugs of the Future 12014690
PubChem: Thomson Pharma 14783240 14880984
SureChEMBL SCHEMBL24698
ZINC ZINC000012468792

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GGXICVAJURFBLW-CEYXHVGTSA-N spacer
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