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Compound Detail

CHEMBL5822874

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Cc1nc(-c2nc(N)c3[nH]c(=O)n(Cc4ccccc4)c3n2)[nH]c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5822874
Phase Preclinical
Structure Type MOL
InChI Key GOJZAANWHFWNOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
1.76
ALogP
6
HBA
3
HBD
118.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N7O
MW 335.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.06

Activity Summary

EC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus NS5B RNA-dependent RNA polymerase
CHEMBL5375
 EC50 6.19 6.19 640.0 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 = 640.0 nM 6.19 Measurement of Interferon Production in Human PBMC: Activation of human TLR7 res... -

Data from ChEMBL 36 via Core Engine