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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL18772
CHEMBL18772
Compound Name QUIPAZINE
ChEMBL Synonyms QUIPAZINE | QUIPAZINE MALEATE
Max Phase 0
Trade Names
Molecular Formula C13H15N3

Additional synonyms for CHEMBL18772 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN(CCN1)c2ccc3ccccc3n2
Standard InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8- ...
Download InChI
Standard InChI Key XRXDAJYKGWNHTQ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL18772

Molecule Features

CHEMBL18772 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 QUIPAZINE
The Cochrane Collaboration QUIPAZINE

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 CHEMBL18772. 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
CHEMBL6140 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.996
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.977
CHEMBL4523 Serine/threonine-protein kinase PIM2 Homo sapiens 0.875
CHEMBL2147 Serine/threonine-protein kinase PIM1 Homo sapiens 0.797
CHEMBL313 Serotonin transporter Rattus norvegicus 0.782
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.779
CHEMBL3778 Interleukin-1 receptor-associated kinase 4 Homo sapiens 0.716
CHEMBL2275 Sorbitol dehydrogenase Homo sapiens 0.462
CHEMBL3863 Protein kinase C mu Homo sapiens 0.251



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6140 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Rattus norvegicus 1.000
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.996
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.957
CHEMBL4523 Serine/threonine-protein kinase PIM2 Homo sapiens 0.954
CHEMBL3778 Interleukin-1 receptor-associated kinase 4 Homo sapiens 0.917
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.875
CHEMBL2275 Sorbitol dehydrogenase Homo sapiens 0.863
CHEMBL2147 Serine/threonine-protein kinase PIM1 Homo sapiens 0.863
CHEMBL313 Serotonin transporter Rattus norvegicus 0.828
CHEMBL3863 Protein kinase C mu Homo sapiens 0.433
CHEMBL5971 Smoothened homolog Homo sapiens 0.403
CHEMBL3759 Histamine H4 receptor Homo sapiens 0.399
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.298
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.297
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.295
CHEMBL2508 Cyclin-dependent kinase 6 Homo sapiens 0.281
CHEMBL4900 Serine/threonine-protein kinase D2 Homo sapiens 0.251

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
213.3 213.1266 1.64 1 28.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.93 2.04 .68 2 16 0.78

Structural Alerts

There are no structural alerts for CHEMBL18772

Compound Cross References

ChemSpider ChemSpider:XRXDAJYKGWNHTQ-UHFFFAOYSA-N
PubChem SID: 104171225 SID: 11111709 SID: 11111710 SID: 11113608 SID: 124881285 SID: 26751806 SID: 50104499
Wikipedia Quipazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL18772



ACToR 928026-67-9 4774-24-7
BindingDB 50014407
ChEBI 93368
eMolecules 888350
EPA CompTox Dashboard DTXSID3046952
FDA SRS 4WCY05C0SJ
Guide to Pharmacology 173
IBM Patent System 3EF57D0278C9D0BB5508522CEF4FBF6A
LINCS LSM-3747
Mcule MCULE-2654170894
MolPort MolPort-000-006-267
Nikkaji J8.773D
PubChem 5011
PubChem: Thomson Pharma 15195795
SureChEMBL SCHEMBL322181
ZINC ZINC000000002020

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