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Compound Detail

CHEMBL2036386

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CC(C)Nc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2036386
Phase Preclinical
Structure Type MOL
InChI Key OYNKWAOFBDDCKM-WTKPLQERSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
0.44
ALogP
8
HBA
4
HBD
122.1
PSA (Ų)
0.63
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 C14H20N6O2
MW 304.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22607883 10.1016/j.bmc.2012.04.049 ADMET 3
22607883 10.1016/j.bmc.2012.04.049 NON-PROTEIN TARGET 2
22607883 10.1016/j.bmc.2012.04.049 Human alphaherpesvirus 1 1
22607883 10.1016/j.bmc.2012.04.049 Human alphaherpesvirus 2 1
22607883 10.1016/j.bmc.2012.04.049 Human alphaherpesvirus 3 1
22607883 10.1016/j.bmc.2012.04.049 Human betaherpesvirus 5 1
22607883 10.1016/j.bmc.2012.04.049 HFF 1
22607883 10.1016/j.bmc.2012.04.049 Human gammaherpesvirus 4 1
22607883 10.1016/j.bmc.2012.04.049 MOLT-3 1
22607883 10.1016/j.bmc.2012.04.049 Human gammaherpesvirus 8 1

Data from ChEMBL 36 via Core Engine