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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22498
CHEMBL22498
Compound Name PHENIPRAZINE
ChEMBL Synonyms PHENIPRAZINE | CATRON HYDROCHLORIDE | PHENIPRAZINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C9H14N2

Additional synonyms for CHEMBL22498 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Cc1ccccc1)NN
Standard InChI InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H ...
Download InChI
Standard InChI Key VXTWEDPZMSVFEF-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL22498

Molecule Features

CHEMBL22498 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PHENIPRAZINE
The Cochrane Collaboration PHENIPRAZINE

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 CHEMBL22498. 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
CHEMBL2590 Aminopeptidase N Sus scrofa 0.986
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.969
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.968
CHEMBL338 Dopamine transporter Rattus norvegicus 0.943
CHEMBL1907 Aminopeptidase N Homo sapiens 0.843
CHEMBL287 Sigma opioid receptor Homo sapiens 0.711
CHEMBL204 Thrombin Homo sapiens 0.700
CHEMBL238 Dopamine transporter Homo sapiens 0.631
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.531
CHEMBL1944 Neprilysin Homo sapiens 0.528
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.521
CHEMBL222 Norepinephrine transporter Homo sapiens 0.319
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.316
CHEMBL3891 Calpain 1 Homo sapiens 0.316
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.310
CHEMBL4072 Cathepsin B Homo sapiens 0.242
CHEMBL313 Serotonin transporter Rattus norvegicus 0.234
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.212
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.208



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2590 Aminopeptidase N Sus scrofa 0.990
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.981
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.961
CHEMBL338 Dopamine transporter Rattus norvegicus 0.955
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.871
CHEMBL1907 Aminopeptidase N Homo sapiens 0.803
CHEMBL238 Dopamine transporter Homo sapiens 0.757
CHEMBL204 Thrombin Homo sapiens 0.737
CHEMBL287 Sigma opioid receptor Homo sapiens 0.733
CHEMBL313 Serotonin transporter Rattus norvegicus 0.620
CHEMBL222 Norepinephrine transporter Homo sapiens 0.502
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.495
CHEMBL1944 Neprilysin Homo sapiens 0.476
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.379
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 0.347
CHEMBL2940 Immunoglobulin epsilon Fc receptor Homo sapiens 0.317
CHEMBL6184 Transporter Rattus norvegicus 0.304
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.251
CHEMBL3314 Alpha-chymotrypsin Bos taurus 0.210
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.210

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
150.2 150.1157 1.08 3 38.05 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8 .66 -.15 1 11 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL22498. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VXTWEDPZMSVFEF-UHFFFAOYSA-N
Wikipedia Pheniprazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22498



ACToR 55-52-7
Brenda 43746 5038
ChEBI 134773
DrugBank DB09250
DrugCentral 2131
eMolecules 6211138
EPA CompTox Dashboard DTXSID6043838
IBM Patent System C3E58B2D6BC8D612BEAAF8FE9E3FF7F9
Nikkaji J4.560H
PubChem 5929
PubChem: Thomson Pharma 14772291
SureChEMBL SCHEMBL163709

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