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Compound Detail

CHEMBL5842255

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Nc1nc(-c2ncc[nH]2)nc2c1[nH]c(=O)n2Cc1ccc(OCC(=O)O)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5842255
Phase Preclinical
Structure Type MOL
InChI Key LGKDTVJHTNJKRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
0.00
ALogP
9
HBA
4
HBD
177.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N8O4
MW 382.34
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.36

Activity Summary

EC50 1 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus NS5B RNA-dependent RNA polymerase
CHEMBL5375
 EC50 5.56 5.56 2750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus NS5B RNA-dependent RNA polymerase EC50 = 2750.0 nM 5.56 Measurement of Interferon Production in Human PBMC: Activation of human TLR7 res... -

Data from ChEMBL 36 via Core Engine