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Compound Detail

CHEMBL5763153

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(-c4csc(CN)c4)cc3)c2n1

Basic Information

ChEMBL ID CHEMBL5763153
Phase Preclinical
Structure Type MOL
InChI Key MJLOJOFSPSDOKU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
3.53
ALogP
9
HBA
3
HBD
125.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O2S
MW 424.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

EC50 2 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 7.23 7.23 59.0 1
Interleukin-6
CHEMBL1795129
EC50 6.97 6.97 106.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine