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Compound Detail

CHEMBL5757520

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNCC(C)C)cc4)c(F)c3)c2n1

Basic Information

ChEMBL ID CHEMBL5757520
Phase Preclinical
Structure Type MOL
InChI Key ZTMKPEDNYLLWSV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
5.02
ALogP
9
HBA
3
HBD
120.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33FN6O3
MW 508.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.08

Activity Summary

EC50 2 meas. best 9.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 9.35 9.35 0.5 1
Interleukin-6
CHEMBL1795129
EC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine