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Compound Detail

CHEMBL5915428

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Nc1nc(-c2nc(C3CC3)c[nH]2)nc2c1[nH]c(=O)n2CCCCCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5915428
Phase Preclinical
Structure Type MOL
InChI Key MZOOMTKGGGWRNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.63
ALogP
7
HBA
3
HBD
121.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N8O
MW 410.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus NS5B RNA-dependent RNA polymerase
CHEMBL5375
 EC50 6.16 6.16 700.0 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 = 700.0 nM 6.16 Measurement of Interferon Production in Human PBMC: Activation of human TLR7 res... -

Data from ChEMBL 36 via Core Engine