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Compound Detail

CHEMBL1779300

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CC(C)CCN(CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779300
Phase Preclinical
Structure Type MOL
InChI Key FMMLIILKTFUQEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
5.82
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N2O2S
MW 440.65
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.93

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