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Compound Detail

CHEMBL3902323

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O=c1c(O)cccc2cc(F)c(O)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3902323
Phase Preclinical
Structure Type MOL
InChI Key MMFWHFUVTFQFIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.46
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7FO4
MW 222.17
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 1/2
CHEMBL3885644
 IC50 4.64 4.64 22740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 1/2 IC50 = 22740.0 nM 4.64 Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... -

Data from ChEMBL 36 via Core Engine