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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62
CHEMBL62
Compound Name SCH-23390
ChEMBL Synonyms SCH-23390
Max Phase 0
Trade Names
Molecular Formula C17H18ClNO

Additional synonyms for CHEMBL62 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3ccccc3
Standard InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(1 ...
Download InChI
Standard InChI Key GOTMKOSCLKVOGG-OAHLLOKOSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL62

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
287.8 287.1077 3.67 1 23.47 NEUTRAL


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
8.83 8.07 3.69 2.94 2 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL62

Compound Cross References

ChemSpider ChemSpider:GOTMKOSCLKVOGG-OAHLLOKOSA-N
PubChem SID: 11113793 SID: 26751972 SID: 90340590
Wikipedia SCH_23390

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62



BindingDB 82247
Brenda 147733
ChEBI 92798
EPA CompTox Dashboard DTXSID40873376
FDA SRS UGT5535REQ
IBM Patent System A0D2BC4597B7FDF040F5A27BCA4B7FC7
LINCS LSM-3005
Nikkaji J246.121H
PubChem 3036864
PubChem: Thomson Pharma 14751202 14775602
SureChEMBL SCHEMBL2916216
ZINC ZINC000002017838

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