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Compound Detail

CHEMBL1095886

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O=C(NCCO)c1cccc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095886
Phase Preclinical
Structure Type MOL
InChI Key GQZNSLKIXSLMJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
1.05
ALogP
5
HBA
3
HBD
104.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3O4
MW 359.77
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
20363140 10.1016/j.bmc.2010.03.024 Hepatitis C virus 3
20363140 10.1016/j.bmc.2010.03.024 Unchecked 1
20363140 10.1016/j.bmc.2010.03.024 ADMET 1

Data from ChEMBL 36 via Core Engine