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Compound Detail

CHEMBL1779166

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

Basic Information

ChEMBL ID CHEMBL1779166
Phase Preclinical
Structure Type MOL
InChI Key LDXGXNZMEWBUSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
3.85
ALogP
1
HBA
1
HBD
38.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O
MW 260.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.12

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