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Compound Detail

CHEMBL5862695

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

Basic Information

ChEMBL ID CHEMBL5862695
Phase Preclinical
Structure Type MOL
InChI Key ANPJSDLOTSFCGV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
2.56
ALogP
11
HBA
5
HBD
156.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N8O3
MW 478.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.97

Activity Summary

EC50 2 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 8.24 8.24 5.8 1
Interleukin-6
CHEMBL1795129
EC50 7.14 7.14 72.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine