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Compound Detail

CHEMBL74932

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CCOc1ccc(Br)cc1-c1cc(Nc2ccc(B(O)O)cc2)nc(N)n1

Basic Information

ChEMBL ID CHEMBL74932
Phase Preclinical
Structure Type MOL
InChI Key WHSLPOPSIWHYPQ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BBrN4O3
MW 429.08

Activity Summary

IC50 3 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-acyl-sn-glycerol-3-phosphate acyltransferase beta
CHEMBL4772
IC50 7.04 7.04 91.0 1
K562
CHEMBL385
IC50 6.7 6.7 200.0 1
DU-145
CHEMBL613508
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15081029 10.1016/j.bmcl.2004.01.104 1-acyl-sn-glycerol-3-phosphate acyltransferase beta 1
15081029 10.1016/j.bmcl.2004.01.104 K562 1
15081029 10.1016/j.bmcl.2004.01.104 DU-145 1

Data from ChEMBL 36 via Core Engine