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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL478
CHEMBL478
Compound Name CHLOROPHENYLPIPERAZINE
ChEMBL Synonyms 1-M-Chlorophenyl Piperazine Metabolite | mCPP
Max Phase 0
Trade Names
Molecular Formula C10H13ClN2

Additional synonyms for CHEMBL478 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(c1)N2CCNCC2
Standard InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3 ...
Download InChI
Standard InChI Key VHFVKMTVMIZMIK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL478

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
196.7 196.0767 2.08 1 15.27 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.85 1.74 .56 1 13 0.74

Structural Alerts

There are no structural alerts for CHEMBL478

Compound Cross References

ChemSpider ChemSpider:VHFVKMTVMIZMIK-UHFFFAOYSA-N
PubChem SID: 104171132 SID: 11110958 SID: 11113750 SID: 124879663 SID: 144203661 SID: 170466760 SID: 26751928 SID: 50104608
Wikipedia Meta-Chlorophenylpiperazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL478



ACToR 6640-24-0
BindingDB 50001915
ChEBI 10588
DrugBank DB12110
eMolecules 617619
EPA CompTox Dashboard DTXSID9045138
FDA SRS REY0CNO998
Guide to Pharmacology 142
Human Metabolome Database HMDB0061008
IBM Patent System 52ABD155EAE87B17F089BDF3A077847C
KEGG Ligand C11738
LINCS LSM-25627
Mcule MCULE-2169847421
Metabolights MTBLC10588
MolPort MolPort-000-153-472
Nikkaji J227.960F
PubChem 1355
PubChem: Thomson Pharma 15487730
SureChEMBL SCHEMBL48931
ZINC ZINC000000004285

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