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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1369407
CHEMBL1369407
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H22Cl2N4

Additional synonyms for CHEMBL1369407 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
Standard InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-1 ...
Download InChI
Standard InChI Key WDQPAMHFFCXSNU-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • MMV Pathogen Box
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1369407

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
473.4 472.1222 7.49 4 42.21 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 7.46 5.86 3 33 0.27

Structural Alerts

There are 5 structural alerts for CHEMBL1369407. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDQPAMHFFCXSNU-UHFFFAOYSA-N
PubChem SID: 174006615 SID: 49681815 SID: 855829

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1369407



ChEBI 3749
DrugBank DB00845
Guide to Pharmacology 9184
Human Metabolome Database HMDB0014983
IBM Patent System 1551292919D103D0060162F88DD52D63
Mcule MCULE-1387160272
MolPort MolPort-042-621-745
NIH Clinical Collection SAM001246878
PharmGKB PA164748759
PubChem 2794
SureChEMBL SCHEMBL26758
ZINC ZINC000253916263

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