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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1921858
CHEMBL1921858
Compound Name
ChEMBL Synonyms SCH-546738
Max Phase 0
Trade Names
Molecular Formula C23H31Cl2N7O

Additional synonyms for CHEMBL1921858 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1CN(CCN1C2CCN(Cc3ccc(Cl)cc3)CC2)c4nc(N)c(nc4Cl)C(=O)N
Standard InChI InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33) ...
Download InChI
Standard InChI Key UYDYJFWSPRQEAX-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1921858

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
492.5 491.1967 3.03 6 104.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.36 6.22 5.2 2 33 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL1921858. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UYDYJFWSPRQEAX-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1921858



BindingDB 50358609
EPA CompTox Dashboard DTXSID40475511
IBM Patent System 4B9B3AB08CED82F525563EB91DCC4D43
MolPort MolPort-023-332-859
PubChem 11995774
PubChem: Thomson Pharma 17494921
SureChEMBL SCHEMBL12910889
ZINC ZINC000073160825

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