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Compound Detail

CHEMBL1779163

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O=[N+]([O-])c1cccc(CN(CCc2c[nH]c3ccccc23)Cc2cccc([N+](=O)[O-])c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779163
Phase Preclinical
Structure Type MOL
InChI Key NWKIITRFEBUWHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.23
ALogP
5
HBA
1
HBD
105.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O4
MW 430.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
21524588 10.1016/j.bmc.2011.04.004 Unchecked 1
21524588 10.1016/j.bmc.2011.04.004 Hepatitis B virus 1
21524588 10.1016/j.bmc.2011.04.004 ADMET 1

Data from ChEMBL 36 via Core Engine