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Compound Detail

CHEMBL5440921

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C=C1Oc2c(ccc3cc(C)ncc23)C1=O

Basic Information

ChEMBL ID CHEMBL5440921
Phase Preclinical
Structure Type MOL
InChI Key FLTVTRFDXDZEFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
2.63
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO2
MW 211.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.60

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1169600
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 2000.0 nM 5.7 Inhibition of IL-5 (unknown origin) 38107174

Literature References

PubMed DOI Target Context # Activities
38107174 10.1039/d3md00248a Interleukin-5 1

Data from ChEMBL 36 via Core Engine