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Compound Detail

CHEMBL2207983

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CC(C)(C)C1CCC2(CC1)SCC(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2

Basic Information

ChEMBL ID CHEMBL2207983
Phase Preclinical
Structure Type MOL
InChI Key GLBYCAZLOUYRAJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
4.74
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.72
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 C23H36N2O2S
MW 404.62
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness -0.41

Activity Summary

EC50 2 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
EC50 4.47 4.375 34000.0 2

Activity Data Samples

Top measurements by pChEMBL value

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