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Compound Detail

CHEMBL6046490

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(-c4nc(CO)co4)cc3)c2n1

Basic Information

ChEMBL ID CHEMBL6046490
Phase Preclinical
Structure Type MOL
InChI Key CBLYPQRWLNZRDF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
2.49
ALogP
10
HBA
3
HBD
145.3
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 C20H22N6O4
MW 410.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.87

Activity Summary

EC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 7.0 7.0 99.0 1
Interleukin-6
CHEMBL1795129
EC50 6.44 6.44 365.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine