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Compound Detail

CHEMBL1779170

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[O-][N+](CCc1c[nH]c2ccccc12)(CC1CCCCC1)CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779170
Phase Preclinical
Structure Type MOL
InChI Key LTCPPPGVFYLXBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

368.6
MW (Da)
6.19
ALogP
1
HBA
1
HBD
38.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2O
MW 368.57
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.08

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