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Compound Detail

CHEMBL3326827

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COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1C

Basic Information

ChEMBL ID CHEMBL3326827
Phase Preclinical
Structure Type MOL
InChI Key OFRWWBXNADADQM-MVBUHNNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

750.9
MW (Da)
4.90
ALogP
10
HBA
2
HBD
160.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H46N6O7S2
MW 750.94
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
25155387 10.1016/j.bmcl.2014.08.002 Hepatitis C virus serine protease, NS3/NS4A 1
25155387 10.1016/j.bmcl.2014.08.002 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine