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Compound Detail

CHEMBL187533

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Cc1cc(C)nc(NC(=O)NCCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187533
Phase Preclinical
Structure Type MOL
InChI Key LWCNSESNZKZKIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.46
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.90
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 C15H18N4O
MW 270.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
15380215 10.1016/j.bmcl.2004.07.066 Hepatitis C virus 1
15380215 10.1016/j.bmcl.2004.07.066 Unchecked 1

Data from ChEMBL 36 via Core Engine