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Compound Detail

CHEMBL294758

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OCC(CO)OCn1ccc2c(NO)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294758
Phase Preclinical
Structure Type MOL
InChI Key BUVHTAGNZLOWQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
-0.44
ALogP
8
HBA
4
HBD
112.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N4O4
MW 254.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
2163454 10.1021/jm00169a028 L1210 1
2163454 10.1021/jm00169a028 Human betaherpesvirus 5 1
2163454 10.1021/jm00169a028 ADMET 1

Data from ChEMBL 36 via Core Engine