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Compound Detail

CHEMBL2207976

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CC1SC2(CCCCC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207976
Phase Preclinical
Structure Type MOL
InChI Key XYWHBNHUPXIULS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.86
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O2S
MW 362.54
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
23117173 10.1016/j.bmc.2012.09.064 Influenza A virus 4
23117173 10.1016/j.bmc.2012.09.064 MDCK 2
23117173 10.1016/j.bmc.2012.09.064 Influenza B virus 2

Data from ChEMBL 36 via Core Engine