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Compound Detail

CHEMBL2441772

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CCCC(NC(=O)C1CCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441772
Phase Preclinical
Structure Type MOL
InChI Key GSPPQNUJTDRFRT-CCIDSJBDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

643.8
MW (Da)
0.90
ALogP
9
HBA
4
HBD
188.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49N7O7
MW 643.79
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
24135727 10.1016/j.bmcl.2013.09.068 Hepatitis C virus 2
24135727 10.1016/j.bmcl.2013.09.068 Huh-7 1
24135727 10.1016/j.bmcl.2013.09.068 Vero 1
24135727 10.1016/j.bmcl.2013.09.068 CCRF-CEM 1
24135727 10.1016/j.bmcl.2013.09.068 PBMC 1

Data from ChEMBL 36 via Core Engine