Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4165385

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccc(B(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165385
Phase Preclinical
Structure Type MOL
InChI Key LAGGXXVONHHPLO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27BN2O5
MW 398.27

Activity Summary

IC50 2 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
 IC50 5.51 5.51 3070.0 1
U-937
CHEMBL612794
 IC50 5.21 5.21 6130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 3070.0 nM 5.51 Cytotoxicity against human MV4-11 cells assessed as reduction in cell viability ... 30034592
U-937 IC50 = 6130.0 nM 5.21 Cytotoxicity against human U937 cells assessed as reduction in cell viability af... 30034592

Literature References

PubMed DOI Target Context # Activities
30034592 10.1021/acsmedchemlett.8b00057 Histone deacetylase 20
30034592 10.1021/acsmedchemlett.8b00057 MV4-11 11
30034592 10.1021/acsmedchemlett.8b00057 No relevant target 8
30034592 10.1021/acsmedchemlett.8b00057 U-937 2
30034592 10.1021/acsmedchemlett.8b00057 PBMC 1
32858470 10.1016/j.ejmech.2020.112670 U-937 1
32858470 10.1016/j.ejmech.2020.112670 MV4-11 1

Data from ChEMBL 36 via Core Engine