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Compound Detail

CHEMBL334382

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NC(=O)c1cn(C(CO)OC(CO)CO)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334382
Phase Preclinical
Structure Type MOL
InChI Key MMQDZFCRFGADJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
-2.03
ALogP
9
HBA
5
HBD
169.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O5
MW 311.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
2913300 10.1021/jm00122a019 ADMET 3
2913300 10.1021/jm00122a019 L1210 1
2913300 10.1021/jm00122a019 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine