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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14563
CHEMBL14563
Compound Name SB-242084
ChEMBL Synonyms SB-242084
Max Phase 0
Trade Names
Molecular Formula C21H19ClN4O2

Additional synonyms for CHEMBL14563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Standard InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)2 ...
Download InChI
Standard InChI Key GIUZEIJUFOPTMR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14563

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
394.9 394.1197 4.03 3 67.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.47 5.3 4.19 4.19 3 28 0.73

Structural Alerts

There are no structural alerts for CHEMBL14563

Compound Cross References

ChemSpider ChemSpider:GIUZEIJUFOPTMR-UHFFFAOYSA-N
PubChem SID: 90341546
Wikipedia SB-242,084

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14563



BindingDB 85097
eMolecules 31503778
EPA CompTox Dashboard DTXSID70394600
Guide to Pharmacology 193
IBM Patent System EC0B1939C98B16C8B08D3E2CBDB075A2
Nikkaji J853.940E
PubChem 3644637
PubChem: Thomson Pharma 14780982
SureChEMBL SCHEMBL507945
ZINC ZINC000000602170

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