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Compound Detail

CHEMBL2347316

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C)cc2)[nH]1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347316
Phase Preclinical
Structure Type MOL
InChI Key FIBPHIZENAEFCY-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.43
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O3
MW 384.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
23466233 10.1016/j.bmcl.2013.02.023 Huh-7 1
23466233 10.1016/j.bmcl.2013.02.023 CCRF-CEM 1
23466233 10.1016/j.bmcl.2013.02.023 Vero 1
23466233 10.1016/j.bmcl.2013.02.023 PBMC 1
23466233 10.1016/j.bmcl.2013.02.023 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine