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Compound Detail

CHEMBL2441767

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CCCC(NC(=O)C1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC12Cc1ccccc1C2)C(=O)C(=O)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441767
Phase Preclinical
Structure Type MOL
InChI Key BVMCXSNUSBFLJS-NHRILVLISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

727.9
MW (Da)
2.81
ALogP
8
HBA
4
HBD
179.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H53N7O6
MW 727.91
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness -0.34

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