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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL129542
CHEMBL129542
Compound Name JNJ-5207852
ChEMBL Synonyms JNJ-5207852
Max Phase 0
Trade Names
Molecular Formula C20H32N2O

Additional synonyms for CHEMBL129542 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(COc1ccc(CN2CCCCC2)cc1)CN3CCCCC3
Standard InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9 ...
Download InChI
Standard InChI Key PTKHFRNHJULJKT-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL129542. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL129542

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
316.5 316.2515 3.92 7 15.71 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.7 3.4 -.36 1 23 0.71

Compound Cross References

ChemSpider ChemSpider:PTKHFRNHJULJKT-UHFFFAOYSA-N
PubChem SID: 49665761
Wikipedia JNJ-5207852

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL129542



BindingDB 50159110
eMolecules 4858561
FDA SRS 4I9OVB1G7D
Guide to Pharmacology 1256
IBM Patent System AEF2A14E487A5589BE3100D0E48052C8
MolPort MolPort-001-685-360
Nikkaji J2.994.689B
PubChem 2766326
PubChem: Thomson Pharma 14821295
SureChEMBL SCHEMBL3577334

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