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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1050
CHEMBL1050
Compound Name LATANOPROST ACID
ChEMBL Synonyms Latanoprost acid
Max Phase 0
Trade Names
Molecular Formula C23H34O5

Additional synonyms for CHEMBL1050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O)CCc2c ...
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Standard InChI InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(2 ...
Download InChI
Standard InChI Key HNPFPERDNWXAGS-NFVOFSAMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1050

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
390.5 390.2406 3.32 12 97.99 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 2.78 .17 1 28 0.32

Structural Alerts

There are 4 structural alerts for CHEMBL1050. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HNPFPERDNWXAGS-NFVOFSAMSA-N
PubChem SID: 29217578

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1050



ACToR 41639-83-2
Atlas latanoprost free acid
Brenda 123642
ChEBI 63925
eMolecules 26753993
EPA CompTox Dashboard DTXSID6040531
FDA SRS EJ85341990
Guide to Pharmacology 1960
MolPort MolPort-006-394-769
PubChem 6441636
PubChem: Thomson Pharma 14829941
SureChEMBL SCHEMBL1313159
ZINC ZINC000013589951

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