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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL129198
CHEMBL129198
Compound Name JNJ-7777120
ChEMBL Synonyms JNJ-7777120
Max Phase 0
Trade Names
Molecular Formula C14H16ClN3O

Additional synonyms for CHEMBL129198 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)C(=O)c2cc3cc(Cl)ccc3[nH]2
Standard InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11( ...
Download InChI
Standard InChI Key HUQJRYMLJBBEDO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL129198

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
277.8 277.0982 2.45 1 39.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.8 2.23 2.11 2 19 0.87

Structural Alerts

There are no structural alerts for CHEMBL129198

Compound Cross References

ChemSpider ChemSpider:HUQJRYMLJBBEDO-UHFFFAOYSA-N
Wikipedia JNJ-7777120

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL129198



ACToR 459168-41-3
BindingDB 22566
eMolecules 4704194
FDA SRS 4H1AU2V37X
Guide to Pharmacology 1278 1279
IBM Patent System A542BA9FE4E570C76149D39ED8C02349
Mcule MCULE-4664243664
MolPort MolPort-002-651-947
Nikkaji J2.519.163C
PubChem 4908365
PubChem: Drugs of the Future 125299313
PubChem: Thomson Pharma 14799535
Selleck jnj-7777120
SureChEMBL SCHEMBL186434
ZINC ZINC000019868747

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