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Compound Detail

CHEMBL3360459

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Oc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2C(=O)N3)[nH]1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360459
Phase Preclinical
Structure Type MOL
InChI Key JSKXHKXTAWSCHW-ANFUHZJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

795.9
MW (Da)
5.91
ALogP
10
HBA
5
HBD
213.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H49N9O8
MW 795.90
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
25453811 10.1016/j.bmcl.2014.10.056 Hepatitis C virus 2

Data from ChEMBL 36 via Core Engine