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Compound Detail

CHEMBL443828

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O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL443828
Phase Preclinical
Structure Type MOL
InChI Key OUQKLMZCFCDWTP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
5.96
ALogP
5
HBA
3
HBD
96.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N4O3
MW 468.56
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 1500.0 nM 5.82 Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase acti... 15013003

Literature References

PubMed DOI Target Context # Activities
15013003 10.1016/j.bmcl.2003.12.032 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine