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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL126224
CHEMBL126224
Compound Name IPRINDOLE
ChEMBL Synonyms Pramindole | IPRINDOLE | Galatur | Tertran | Prondol | WY-3263
Max Phase 4 (Approved)
Trade Names
Molecular Formula C19H28N2

Additional synonyms for CHEMBL126224 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCn1c2CCCCCCc2c3ccccc13
Standard InChI InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18) ...
Download InChI
Standard InChI Key PLIGPBGDXASWPX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL126224

Molecule Features

CHEMBL126224 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression4ATC

Clinical Data

ClinicalTrials.gov IPRINDOLE
The Cochrane Collaboration IPRINDOLE

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 CHEMBL126224. 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
CHEMBL1914272 Scavenger receptor class B member 1 Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL5763 Cholinesterase Equus caballus 0.999
CHEMBL2107 C-X-C chemokine receptor type 4 Homo sapiens 0.994
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.992
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.845
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.799
CHEMBL313 Serotonin transporter Rattus norvegicus 0.778
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.758
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 0.637
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.487
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.405
CHEMBL3994 Enoyl-[acyl-carrier-protein] reductase Staphylococcus aureus subsp. aureus MRSA252 0.367
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.325
CHEMBL1865 Histone deacetylase 6 Homo sapiens 0.322
CHEMBL287 Sigma opioid receptor Homo sapiens 0.293
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.280



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1914272 Scavenger receptor class B member 1 Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.998
CHEMBL2083 Fatty acid binding protein adipocyte Homo sapiens 0.998
CHEMBL2107 C-X-C chemokine receptor type 4 Homo sapiens 0.997
CHEMBL3994 Enoyl-[acyl-carrier-protein] reductase Staphylococcus aureus subsp. aureus MRSA252 0.978
CHEMBL5763 Cholinesterase Equus caballus 0.967
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.831
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.776
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.662
CHEMBL313 Serotonin transporter Rattus norvegicus 0.653
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.597
CHEMBL287 Sigma opioid receptor Homo sapiens 0.585
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.558
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.486
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.432
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
284.5 284.2252 4.25 4 8.17 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.64 5.02 2.84 2 21 0.81

Structural Alerts

There are no structural alerts for CHEMBL126224

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AA - Non-selective monoamine reuptake inhibitors
N06AA13 - iprindole

ChemSpider ChemSpider:PLIGPBGDXASWPX-UHFFFAOYSA-N
Wikipedia Iprindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL126224



ACToR 5560-72-5
BindingDB 81448
ChEBI 135177
DrugCentral 1478
EPA CompTox Dashboard DTXSID80204145
FDA SRS 69U0IKR8FP
IBM Patent System 5CBB45DD0199610C3106316564C0B303
Nikkaji J9.552D
PubChem 21722
PubChem: Thomson Pharma 14973157
SureChEMBL SCHEMBL49509
ZINC ZINC000000001576

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