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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1738926
CHEMBL1738926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H21N5O2

Additional synonyms for CHEMBL1738926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c4ccccc4)c5ccccc5n12
Standard InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4 ...
Download InChI
Standard InChI Key TUWDLUFFAHHNEF-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1738926

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
423.5 423.1695 4.35 4 81.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 2.07 2.59 2.59 4 32 0.53

Structural Alerts

There are 2 structural alerts for CHEMBL1738926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TUWDLUFFAHHNEF-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1738926



BindingDB 50365264
PDBe WSH
PubChem 53318989
PubChem: Thomson Pharma 125295429
SureChEMBL SCHEMBL14756006
ZINC ZINC000034195842

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