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Compound Detail

CHEMBL4467793

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Cc1cccc2c(C=O)c[nH]c12

Basic Information

ChEMBL ID CHEMBL4467793
Phase Preclinical
Structure Type MOL
InChI Key KTUFZHVVJBHGKZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
2.29
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO
MW 159.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.19

Activity Summary

IC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription intermediary factor 1-alpha
CHEMBL3108638
IC50 6.8 6.8 156.6 1
E3 ubiquitin-protein ligase TRIM33
CHEMBL2176772
IC50 6.62 6.62 240.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine