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Compound Detail

CHEMBL2036393

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Nc1nc(N2CCCC2)c2ncn(/C=C3/CC3(CO)CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2036393
Phase Preclinical
Structure Type MOL
InChI Key OYBSUYOUTQKBIT-POHAHGRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
0.22
ALogP
8
HBA
3
HBD
113.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N6O2
MW 316.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

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