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Compound Detail

CHEMBL5896567

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Nc1nc(-c2nc(C3CCCC3)c[nH]2)nc2c1[nH]c(=O)n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5896567
Phase Preclinical
Structure Type MOL
InChI Key SCAPUPQLSGVSRH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.80
ALogP
6
HBA
3
HBD
118.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7O
MW 375.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.75

Activity Summary

EC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus NS5B RNA-dependent RNA polymerase
CHEMBL5375
 EC50 4.86 4.86 13970.0 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 = 13970.0 nM 4.86 Measurement of Interferon Production in Human PBMC: Activation of human TLR7 res... -

Data from ChEMBL 36 via Core Engine