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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908842
CHEMBL1908842
Compound Name
ChEMBL Synonyms JNJ-28312141
Max Phase 0
Trade Names
Molecular Formula C26H32N6O2

Additional synonyms for CHEMBL1908842 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CC(=O)N1CCC(CC1)c2ccc(NC(=O)c3nc(c[nH]3)C#N)c(c2)C4=CCC ...
Download SMILES
Standard InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20 ...
Download InChI
Standard InChI Key GUBJNPWVIUFSTR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1908842

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
460.6 460.2587 3.76 6 105.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.74 8.24 2.17 .05 2 34 0.68

Structural Alerts

There are no structural alerts for CHEMBL1908842

Compound Cross References

ChemSpider ChemSpider:GUBJNPWVIUFSTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908842



BindingDB 50355499
EPA CompTox Dashboard DTXSID70237129
FDA SRS YKQ241VJ92
Guide to Pharmacology 5689
IBM Patent System 7D0C261C249CE97F2F49133D1B6AD661 A59032F0D3FC0920C76FADF7DCA9B5D4
PubChem 11676971
PubChem: Thomson Pharma 16780989 134960159
SureChEMBL SCHEMBL20484783 SCHEMBL4981038
ZINC ZINC000038226716

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