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Compound Detail

CHEMBL5967615

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Nc4ccc(CNC5CCC5)cc4)nc3)c2n1

Basic Information

ChEMBL ID CHEMBL5967615
Phase Preclinical
Structure Type MOL
InChI Key LVYHWHWKFVCUMH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
4.12
ALogP
10
HBA
4
HBD
136.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N8O2
MW 488.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.98

Activity Summary

EC50 2 meas. best 8.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 8.91 8.91 1.2 1
Interleukin-6
CHEMBL1795129
EC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine