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Compound Detail

CHEMBL1779168

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CC(C)CC[N+]([O-])(CCc1c[nH]c2ccccc12)CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779168
Phase Preclinical
Structure Type MOL
InChI Key WFKOOIFWIKDLTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.5
MW (Da)
5.12
ALogP
1
HBA
1
HBD
38.9
PSA (Ų)
0.51
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 C20H32N2O
MW 316.49
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.15

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 Unchecked 1
21524588 10.1016/j.bmc.2011.04.004 ADMET 1

Data from ChEMBL 36 via Core Engine