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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277040
CHEMBL277040
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N7O6

Additional synonyms for CHEMBL277040 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1
Standard InChI InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-1 ...
Download InChI
Standard InChI Key OVBPIULPVIDEAO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL277040

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
441.4 441.1397 0.37 9 213.54 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 13 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.84 7.84 -.26 -4.87 3 32 0.27

Structural Alerts

There are 3 structural alerts for CHEMBL277040. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OVBPIULPVIDEAO-UHFFFAOYSA-N
PubChem SID: 124892082 SID: 26748575 SID: 26755300 SID: 29215194 SID: 69619

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277040



ACToR 32108-06-8
eMolecules 984032 1986886 29563448 27678078
IBM Patent System 5D6961A49B9DE624C0D34693F6B7D2BB D1B2F40B4E0E4E2C94801BFD5D783B64
Mcule MCULE-3509109723
MolPort MolPort-005-932-387 MolPort-001-684-168 MolPort-023-220-147
Nikkaji J1.107.430H
NMRShiftDB 10016349
PubChem 3405
PubChem: Thomson Pharma 16870013
SureChEMBL SCHEMBL3877

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