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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL91238
CHEMBL91238
Compound Name IPROCLOZIDE
ChEMBL Synonyms PC-603 | IPROCLOZIDE
Max Phase 0
Trade Names
Molecular Formula C11H15ClN2O2

Additional synonyms for CHEMBL91238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NNC(=O)COc1ccc(Cl)cc1
Standard InChI InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4- ...
Download InChI
Standard InChI Key GGECDTUJZOXAAR-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL91238

Molecule Features

CHEMBL91238 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression0ATC

Clinical Data

ClinicalTrials.gov IPROCLOZIDE
The Cochrane Collaboration IPROCLOZIDE

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 CHEMBL91238. 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
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.802
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.746
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.646
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.576
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.530
CHEMBL2318 ADAMTS4 Homo sapiens 0.382



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2285 ADAMTS5 Homo sapiens 0.955
CHEMBL2318 ADAMTS4 Homo sapiens 0.954
CHEMBL321 Matrix metalloproteinase 9 Homo sapiens 0.792
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.791
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.694
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.408
CHEMBL3192 Histone deacetylase 8 Homo sapiens 0.390
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.297

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
242.7 242.0822 1.75 5 50.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 2.65 1.99 1.99 1 16 0.77

Structural Alerts

There are 7 structural alerts for CHEMBL91238. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AF - Monoamine oxidase inhibitors, non-selective
N06AF06 - iproclozide

ChemSpider ChemSpider:GGECDTUJZOXAAR-UHFFFAOYSA-N
Wikipedia Iproclozide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL91238



ACToR 3544-35-2
ChEBI 134988
DrugBank DB09247
DrugCentral 1479
eMolecules 6136006
EPA CompTox Dashboard DTXSID70188925
FDA SRS 1II9D6CB3J
IBM Patent System A4624FE97139459B333E76AAE52C272F
Mcule MCULE-2765197135
Nikkaji J7.961H
PubChem 19063
PubChem: Thomson Pharma 15019839
SureChEMBL SCHEMBL49744
ZINC ZINC000000001577

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