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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1837037
CHEMBL1837037
Compound Name
ChEMBL Synonyms PF-184563
Max Phase 0
Trade Names
Molecular Formula C21H23ClN6

Additional synonyms for CHEMBL1837037 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1Cc2cc(Cl)ccc2n3c(C1)nnc3C4CCN(CC4)c5ccccn5
Standard InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14- ...
Download InChI
Standard InChI Key LXHAZNJVVVBJIF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1837037

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
394.9 394.1673 3.61 2 50.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.67 1.58 .23 3 28 0.66

Structural Alerts

There are no structural alerts for CHEMBL1837037

Compound Cross References

ChemSpider ChemSpider:LXHAZNJVVVBJIF-UHFFFAOYSA-N
Wikipedia PF-184563

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1837037



BindingDB 50354894
IBM Patent System 77148A4C8A0CFAC448E33034A92E9FEF
Nikkaji J3.020.189B
PubChem 11237434
PubChem: Thomson Pharma 16477859
SureChEMBL SCHEMBL5095191
ZINC ZINC000068009318

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