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Compound Detail

CHEMBL169233

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NCCOB(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169233
Phase Preclinical
Structure Type MOL
InChI Key BLZVCIGGICSWIG-UHFFFAOYSA-N
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

225.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H16BNO
MW 225.10

Activity Summary

IC50 9 meas. best 6.0
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 2
CHEMBL1250402
 IC50 6.0 5.828 1000.0 5
Unchecked
CHEMBL612545
 IC50 4.82 4.49 15000.0 2
Transient receptor potential cation channel subfamily M member 7
CHEMBL3714706
 IC50 4.66 4.66 22000.0 1
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
CHEMBL4693
 IC50 4.16 4.16 70000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily M member 2 IC50 = 1000.0 nM 6.0 Inhibition of human TRPM2 expressed in HEK293 cells 24304219
Transient receptor potential cation channel subfamily M member 2 IC50 = 1000.0 nM 6.0 Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADP... 29019677
Transient receptor potential cation channel subfamily M member 2 IC50 = 1200.0 nM 5.92 Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR... 33784097
Transient receptor potential cation channel subfamily M member 2 IC50 = 1200.0 nM 5.92 Inhibition of human TRPM2 expressed in HEK293 cells 34416664
Transient receptor potential cation channel subfamily M member 2 IC50 = 5000.0 nM 5.3 Inhibition of human TRPM2 expressed in HEK293T cells cotransfected with GFP asse... 34416664
Unchecked IC50 = 15000.0 nM 4.82 Inhibition of thapsigargin-induced SOCE channel in fura-2 loaded human Jarkart T... 20097561
Transient receptor potential cation channel subfamily M member 7 IC50 = 22000.0 nM 4.66 Inhibition of FLAG-tagged mouse TRPM7 transfected in HEK293 cells assessed as in... 38537009
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 IC50 = 70000.0 nM 4.16 Inhibition of rabbit skeletal muscle microsomes FITC-labelled SERCA1a incubated ... 32030976
Unchecked IC50 = 70000.0 nM 4.16 Inhibition of porcine cerebellar microsomes FITC-labelled SERCA2b incubated for ... 32030976

Literature References

PubMed DOI Target Context # Activities
34416664 10.1016/j.ejmech.2021.113750 Transient receptor potential cation channel subfamily M member 2 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20097561 10.1016/j.bmcl.2009.12.108 Unchecked 2
36179401 10.1016/j.ejmech.2022.114773 Unchecked 2
34416664 10.1016/j.ejmech.2021.113750 SH-SY5Y 2
33784097 10.1021/acs.jmedchem.0c02129 Transient receptor potential cation channel subfamily M member 2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
9871552 10.1016/s0960-894x(98)00126-7 Mycobacterium tuberculosis 2
30176215 10.1021/acs.jmedchem.8b00734 Transient receptor potential cation channel subfamily V member 1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
32030976 10.1021/acs.jmedchem.9b01509 Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1
32030976 10.1021/acs.jmedchem.9b01509 Unchecked 1
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 8 1
29019677 10.1021/acs.jnatprod.7b00515 Transient receptor potential cation channel subfamily M member 2 1
24304219 10.1021/jm401497a Transient receptor potential cation channel subfamily M member 2 1
16408004 10.1038/nchembio0705-85 Transient receptor potential cation channel subfamily V member 3 1
16408004 10.1038/nchembio0705-85 Transient receptor potential cation channel subfamily V member 2 1
34416664 10.1016/j.ejmech.2021.113750 Unchecked 1
38537009 10.1021/acs.jnatprod.3c00942 Transient receptor potential cation channel subfamily M member 7 1

Data from ChEMBL 36 via Core Engine