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Compound Detail

CHEMBL61676

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CCNc1ncnc2c1c(Cl)cn2COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61676
Phase Preclinical
Structure Type MOL
InChI Key VKVDDEMCLLIKGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

300.8
MW (Da)
0.84
ALogP
7
HBA
3
HBD
92.4
PSA (Ų)
0.70
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 C12H17ClN4O3
MW 300.75
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.27

Literature References

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

Data from ChEMBL 36 via Core Engine