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Compound Detail

CHEMBL384372

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Cc1nc(N(C)Cc2ccccc2)nc(-n2c(C)nc3ccccc32)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL384372
Phase Preclinical
Structure Type MOL
InChI Key HTBAEHOHFKULAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.98
ALogP
7
HBA
0
HBD
90.0
PSA (Ų)
0.38
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 C21H20N6O2
MW 388.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.50

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