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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71920
CHEMBL71920
Compound Name U-92,016-A
ChEMBL Synonyms U-92016A
Max Phase 0
Trade Names
Molecular Formula C19H25N3

Additional synonyms for CHEMBL71920 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Standard InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14 ...
Download InChI
Standard InChI Key WDDZPZKGLZNGEH-MRXNPFEDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL71920

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
295.4 295.2048 4.99 5 42.82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.37 4.01 1.99 2 22 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL71920. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDDZPZKGLZNGEH-MRXNPFEDSA-N
Wikipedia U-92,016-A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71920



BindingDB 50037272
EPA CompTox Dashboard DTXSID00432645
Guide to Pharmacology 30
Nikkaji J557.124C
PubChem 9904242
PubChem: Thomson Pharma 14873556
SureChEMBL SCHEMBL6901629
ZINC ZINC000003792458

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