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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL410414
CHEMBL410414
Compound Name DIRLOTAPIDE
ChEMBL Synonyms DIRLOTAPIDE | CP-742,033
Max Phase 1
Trade Names
Molecular Formula C40H33F3N4O3

Additional synonyms for CHEMBL410414 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c2cc3cc(NC(=O)c4ccccc4c5ccc(c ...
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Standard InChI InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28 ...
Download InChI
Standard InChI Key TUOSYWCFRFNJBS-BHVANESWSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL410414

Molecule Features

CHEMBL410414 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ObesityD009765EFO:0001073obesity1ClinicalTrials

Clinical Data

ClinicalTrials.gov DIRLOTAPIDE
The Cochrane Collaboration DIRLOTAPIDE

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
674.7 674.2505 8.25 9 83.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.4 - 6.02 6.02 6 50 0.16

Structural Alerts

There are 1 structural alerts for CHEMBL410414. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TUOSYWCFRFNJBS-BHVANESWSA-N
Wikipedia Dirlotapide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL410414



BindingDB 50204367
eMolecules 36761094
EPA CompTox Dashboard DTXSID00897432
FDA SRS 578H0RMP25
IBM Patent System AC45DA0EA20E8676FA3AC3B5DA17140D
MolPort MolPort-019-922-622
Nikkaji J2.803.920D
PubChem 9917862
PubChem: Thomson Pharma 14888333 16897657
SureChEMBL SCHEMBL37781
ZINC ZINC000003988502

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