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Compound Detail

CHEMBL177302

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CN(C)CCCNC(=O)COc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177302
Phase Preclinical
Structure Type MOL
InChI Key NRHKTSOFLCNEEH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.35
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N4O4
MW 478.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 13000.0 nM 4.89 Inhibitory activity against NS5B polymerase of hepatitis C virus 14684311

Literature References

PubMed DOI Target Context # Activities
14684311 10.1016/j.bmcl.2003.10.023 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine