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Compound Detail

CHEMBL2036390

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Nc1nc(NC2CCCCC2)c2ncn(/C=C3/CC3(CO)CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2036390
Phase Preclinical
Structure Type MOL
InChI Key YUYKDXIIYKGFSM-XFFZJAGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.37
ALogP
8
HBA
4
HBD
122.1
PSA (Ų)
0.65
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 C17H24N6O2
MW 344.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.23

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