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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL172692
CHEMBL172692
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H15N5O4

Additional synonyms for CHEMBL172692 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H]([C@@H](CO)O2)n3ccnn3)C(=O)NC1=O
Standard InChI InChI=1S/C12H15N5O4/c1-7-5-16(12(20)14-11(7)19)10-4-8(9(6-18 ...
Download InChI
Standard InChI Key CPWUCLYZTKEZPT-OPRDCNLKSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL172692

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
293.3 293.1124 -0.87 0 3 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.55 .75 -.16 -.16 1 21 0 0.75

Compound Cross References

ChemSpider ChemSpider:CPWUCLYZTKEZPT-OPRDCNLKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL172692



PubChem 44382754

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