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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42126
CHEMBL42126
Compound Name PICLAMILAST
ChEMBL Synonyms PICLAMILAST | RP-73041 | RP 73401 | RP-73401
Max Phase 0
Trade Names
Molecular Formula C18H18Cl2N2O3

Additional synonyms for CHEMBL42126 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
Standard InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5 ...
Download InChI
Standard InChI Key RRRUXBQSQLKHEL-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL42126

Molecule Features

CHEMBL42126 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PICLAMILAST
The Cochrane Collaboration PICLAMILAST

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 CHEMBL42126. 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
CHEMBL3333 Phosphodiesterase 4A Sus scrofa 1.000
CHEMBL275 Phosphodiesterase 4B Homo sapiens 1.000
CHEMBL288 Phosphodiesterase 4D Homo sapiens 1.000
CHEMBL254 Phosphodiesterase 4A Homo sapiens 1.000
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 0.828
CHEMBL3983 Dual specificity protein kinase TTK Homo sapiens 0.240



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3333 Phosphodiesterase 4A Sus scrofa 1.000
CHEMBL275 Phosphodiesterase 4B Homo sapiens 1.000
CHEMBL288 Phosphodiesterase 4D Homo sapiens 1.000
CHEMBL254 Phosphodiesterase 4A Homo sapiens 1.000
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 0.823

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
381.3 380.0694 4.16 5 60.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.1 .44 2.53 2.53 2 25 0.85

Structural Alerts

There are no structural alerts for CHEMBL42126

Compound Cross References

ChemSpider ChemSpider:RRRUXBQSQLKHEL-UHFFFAOYSA-N
Wikipedia Piclamilast

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42126



ACToR 144035-83-6
BindingDB 14775
Brenda 37825 7549
ChEBI 47619
DrugBank DB01791
EPA CompTox Dashboard DTXSID3040227
FDA SRS WM58D7C3ZT
IBM Patent System 1AA72114852703BA069225F928F1B297
Mcule MCULE-7683992841
MolPort MolPort-003-700-258
Nikkaji J623.884J
PDBe PIL
PubChem 154575
PubChem: Drugs of the Future 12014798
PubChem: Thomson Pharma 14780156
SureChEMBL SCHEMBL26573
ZINC ZINC000000598965

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