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Compound Detail

CHEMBL133217

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Nc1ncnc2c1ccn2C(CO)OC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133217
Phase Preclinical
Structure Type MOL
InChI Key KBCDOHMTVQJPBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
-1.13
ALogP
8
HBA
4
HBD
126.7
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 C11H16N4O4
MW 268.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
2913300 10.1021/jm00122a019 ADMET 4
2913300 10.1021/jm00122a019 L1210 1
2913300 10.1021/jm00122a019 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine