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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263664
CHEMBL263664
Compound Name
ChEMBL Synonyms CCT128930
Max Phase 0
Trade Names
Molecular Formula C18H20ClN5

Additional synonyms for CHEMBL263664 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c3ncnc4[nH]ccc34
Standard InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10- ...
Download InChI
Standard InChI Key RZIDZIGAXXNODG-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL263664

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
341.9 341.1407 3.15 3 70.83 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
13.93 8.65 3.58 2.21 3 24 0.77

Structural Alerts

There are no structural alerts for CHEMBL263664

Compound Cross References

ChemSpider ChemSpider:RZIDZIGAXXNODG-UHFFFAOYSA-N
PubChem SID: 174006521

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263664



BindingDB 50237622
eMolecules 36516881
EPA CompTox Dashboard DTXSID80590818
IBM Patent System F64D258AB7A75A136A2E0B56A4DD1A0C 5E89A32532C3B6F03640203FE5A9F5C2
MolPort MolPort-023-219-215
PubChem 17751819
PubChem: Thomson Pharma 49850512
Selleck cct128930
SureChEMBL SCHEMBL1002126
ZINC ZINC000016052630

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