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Compound Detail

CHEMBL303055

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Nc1ncnc2c1ccn2COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303055
Phase Preclinical
Structure Type MOL
InChI Key DXQULPQYDXUEBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
-0.66
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.64
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 C10H14N4O3
MW 238.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
2163454 10.1021/jm00169a028 ADMET 2
2913300 10.1021/jm00122a019 ADMET 2
2163454 10.1021/jm00169a028 L1210 1
2163454 10.1021/jm00169a028 Human betaherpesvirus 5 1
2163454 10.1021/jm00169a028 Human alphaherpesvirus 1 1
2913300 10.1021/jm00122a019 Human betaherpesvirus 5 1
2913300 10.1021/jm00122a019 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine