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Compound Detail

CHEMBL1796215

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Nc1ncn(C/C=C2\OC(=O)C(O)=C2OCc2ccccc2)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1796215
Phase Preclinical
Structure Type MOL
InChI Key ZZKKKVYRAKMNLH-WDZFZDKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
0.65
ALogP
9
HBA
2
HBD
129.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O5
MW 342.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
21524828 10.1016/j.ejmech.2011.03.066 WI-38 1
21524828 10.1016/j.ejmech.2011.03.066 MIA PaCa-2 1
21524828 10.1016/j.ejmech.2011.03.066 SW-620 1
21524828 10.1016/j.ejmech.2011.03.066 HepG2 1
21524828 10.1016/j.ejmech.2011.03.066 MCF7 1
21524828 10.1016/j.ejmech.2011.03.066 HeLa 1

Data from ChEMBL 36 via Core Engine