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Compound Detail

CHEMBL5900687

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CN1CCN(CCCCCn2c(=O)[nH]c3c(N)nc(-c4ncc[nH]4)nc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5900687
Phase Preclinical
Structure Type MOL
InChI Key VIOVBLSMYHTSBO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
0.51
ALogP
8
HBA
3
HBD
124.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N9O
MW 385.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus NS5B RNA-dependent RNA polymerase
CHEMBL5375
 EC50 5.87 5.87 1340.0 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 = 1340.0 nM 5.87 Measurement of Interferon Production in Human PBMC: Activation of human TLR7 res... -

Data from ChEMBL 36 via Core Engine