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Compound Detail

CHEMBL1779175

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C[N+](C)([O-])CCc1c[nH]c2ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779175
Phase Preclinical
Structure Type MOL
InChI Key UADOMBGQYQPICP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
1.99
ALogP
2
HBA
2
HBD
59.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2O2
MW 220.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.02

Literature References

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

Data from ChEMBL 36 via Core Engine