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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2036808
CHEMBL2036808
Compound Name PYRAZOLOPYRIMIDINE
ChEMBL Synonyms Pyrazolopyrimidine
Max Phase 0
Trade Names
Molecular Formula C22H29FN6

Additional synonyms for CHEMBL2036808 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNc1ncc2c(nn(C[C@@H]3CC[C@@H](N)CC3)c2n1)c4ccc(F)cc4
Standard InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23) ...
Download InChI
Standard InChI Key OGEBRHQLRGFBNV-RZDIXWSQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2036808

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
396.5 396.2438 4.36 7 81.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 4.37 1.59 3 29 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL2036808. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OGEBRHQLRGFBNV-RZDIXWSQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2036808



BindingDB 50384576
MolPort MolPort-042-665-811
PDBe CKJ
PubChem: Thomson Pharma 125239786
SureChEMBL SCHEMBL14755115

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