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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1909072
CHEMBL1909072
Compound Name PIPAMAZINE
ChEMBL Synonyms PIPAMAZINE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C21H24ClN3OS

Additional synonyms for CHEMBL1909072 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)C1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
Standard InChI InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-1 ...
Download InChI
Standard InChI Key OSJJYEUEJRVVOD-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1909072

Molecule Features

CHEMBL1909072 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First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year
Country United States
Reason

Clinical Data

ClinicalTrials.gov PIPAMAZINE
The Cochrane Collaboration PIPAMAZINE

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 CHEMBL1909072. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.999
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.999
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.999
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.999
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.998
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.998
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.998
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.997



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL1941 Histamine H2 receptor Homo sapiens 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.999
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.998
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.998
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.997
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 0.997

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
402 401.1329 4.21 5 74.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.42 4.57 3.66 2 27 0.81

Structural Alerts

There are no structural alerts for CHEMBL1909072

Compound Cross References

ChemSpider ChemSpider:OSJJYEUEJRVVOD-UHFFFAOYSA-N
Wikipedia Pipamazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1909072



ACToR 84-04-8
ChEBI 135641
DrugCentral 2180
EPA CompTox Dashboard DTXSID3023477
FDA SRS 653552FH1N
IBM Patent System 5FA23DF1471C0965A3CE1F4A39A07B51
Nikkaji J4.890I
PubChem 6761
PubChem: Thomson Pharma 14805909
SureChEMBL SCHEMBL49665
ZINC ZINC000000538183

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