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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250843
CHEMBL250843
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15ClN4O

Additional synonyms for CHEMBL250843 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1[nH]nc2c3cc(Cl)ccc3N(CCCN)C(=O)c12
Standard InChI InChI=1S/C14H15ClN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10) ...
Download InChI
Standard InChI Key CHUXKSLQGDKINL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL250843

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
290.8 290.0934 2.19 3 76.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.96 9.68 2.65 .63 3 20 0.78

Structural Alerts

There are no structural alerts for CHEMBL250843

Compound Cross References

ChemSpider ChemSpider:CHUXKSLQGDKINL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250843



BindingDB 92404
IBM Patent System 2C9C43E11BD7D0AA157250EA20046129 8578265107B6EF744D0825A91D340223
PubChem 11185396
PubChem: Thomson Pharma 16266260
SureChEMBL SCHEMBL6513825

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