ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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 5.13 3 67.35 NEUTRAL


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


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 0.67

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
MolPort MolPort-009-019-647
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
spacer