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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24172
CHEMBL24172
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H15N

Additional synonyms for CHEMBL24172 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCC(=CC1)c2ccccc2
Standard InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H, ...
Download InChI
Standard InChI Key PLRACCBDVIHHLZ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL24172

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
173.3 173.1204 2.41 1 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.67 2.52 1.24 1 13 0.63

Structural Alerts

There are no structural alerts for CHEMBL24172

Compound Cross References

ChemSpider ChemSpider:PLRACCBDVIHHLZ-UHFFFAOYSA-N
Wikipedia MPTP

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24172



ACToR 28289-54-5
BindingDB 50003599
Brenda 2388 136081
ChEBI 17963
eMolecules 591541
EPA CompTox Dashboard DTXSID8040933
FDA SRS 9P21XSP91P
IBM Patent System 1EF61E0B77C15209E417CF6ABDB05C95
KEGG Ligand C04599
Mcule MCULE-2830400928
Nikkaji J22.909A
PubChem 1388
PubChem: Drugs of the Future 12013829
PubChem: Thomson Pharma 15120494
SureChEMBL SCHEMBL50923
ZINC ZINC000000968184

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