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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL267930
CHEMBL267930
Compound Name SPIPERONE
ChEMBL Synonyms SPIROPITAN | SPIPERONE | R 5147
Max Phase 0
Trade Names
Molecular Formula C23H26FN3O2

Additional synonyms for CHEMBL267930 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4
Standard InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26- ...
Download InChI
Standard InChI Key DKGZKTPJOSAWFA-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Drugs for Neglected Diseases Initiative (DNDi)
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL267930

Molecule Features

CHEMBL267930 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 SPIPERONE
The Cochrane Collaboration SPIPERONE

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 CHEMBL267930. 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
CHEMBL2734 Phospholipase D2 Homo sapiens 1.000
CHEMBL2536 Phospholipase D1 Homo sapiens 1.000
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL5067 Dopamine D1 receptor Sus scrofa 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.998
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.997
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.997
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.996
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.994



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2536 Phospholipase D1 Homo sapiens 1.000
CHEMBL2734 Phospholipase D2 Homo sapiens 1.000
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL3060 Glycine transporter 2 Homo sapiens 0.999
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.999
CHEMBL5067 Dopamine D1 receptor Sus scrofa 0.999
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.998

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
395.5 395.2009 3.22 6 52.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.89 3.25 1.76 2 29 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL267930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DKGZKTPJOSAWFA-UHFFFAOYSA-N
PubChem SID: 104171240 SID: 11111816 SID: 11112441 SID: 11113336 SID: 124881477 SID: 124881482 SID: 144203820 SID: 170465856 SID: 26746969 SID: 26751487 SID: 56422155 SID: 855701 SID: 90341283
Wikipedia Spiperone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL267930



ACToR 749-02-0
BindingDB 21397
Brenda 72163
ChEBI 9233
DrugCentral 2470
eMolecules 594454
EPA CompTox Dashboard DTXSID5045205
FDA SRS 4X6E73CJ0Q
Guide to Pharmacology 99 3300
IBM Patent System 00AA24D15925F462110DAAA612F9BECD
LINCS LSM-3235
Mcule MCULE-7534168791
MolPort MolPort-003-666-371
Nikkaji J3.320K
PubChem 5265
PubChem: Thomson Pharma 14903329
SureChEMBL SCHEMBL116031
ZINC ZINC000000643233

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