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Compound Detail

CHEMBL384592

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Cc1nccn1-c1nc(N(C)Cc2ccccc2)nc(CCN(C)C)c1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL384592
Phase Preclinical
Structure Type MOL
InChI Key WXFNNAMKGBPKCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.62
ALogP
8
HBA
0
HBD
93.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7O2
MW 395.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HFF
CHEMBL614071
IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HFF IC50 = 6000.0 nM 5.22 Antiviral activity against human CMV by luciferase reporter gene assay in HFF ce... 16814545

Literature References

PubMed DOI Target Context # Activities
16814545 10.1016/j.bmcl.2006.06.066 HFF 1
16814545 10.1016/j.bmcl.2006.06.066 Human alphaherpesvirus 1 1
16814545 10.1016/j.bmcl.2006.06.066 Human gammaherpesvirus 4 1
16814545 10.1016/j.bmcl.2006.06.066 Human immunodeficiency virus 1
16814545 10.1016/j.bmcl.2006.06.066 Human betaherpesvirus 6 1
16814545 10.1016/j.bmcl.2006.06.066 Murid betaherpesvirus 2 1
16814545 10.1016/j.bmcl.2006.06.066 Caviid betaherpesvirus 2 1
16814545 10.1016/j.bmcl.2006.06.066 Murid betaherpesvirus 1 1
16814545 10.1016/j.bmcl.2006.06.066 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine