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Compound Detail

CHEMBL4470967

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COc1ccc(Nc2c(-c3nc[nH]c3C)nc3ccc(Br)cn23)cc1

Basic Information

ChEMBL ID CHEMBL4470967
Phase Preclinical
Structure Type MOL
InChI Key LURATXYOUWOIPA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
4.55
ALogP
5
HBA
2
HBD
67.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16BrN5O
MW 398.26
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 2 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase TRIM33
CHEMBL2176772
IC50 7.86 7.86 13.7 1
Transcription intermediary factor 1-alpha
CHEMBL3108638
IC50 5.59 5.59 2594.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine