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

CHEMBL20421

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
OB(O)c1cccc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20421
Phase Preclinical
Structure Type MOL
InChI Key GOXICVKOZJFRMB-UHFFFAOYSA-N
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

198.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11BO2
MW 198.03

Activity Summary

Ki 10 meas. best 4.86
IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
 IC50 6.89 6.89 130.0 1
Beta-lactamase TEM
CHEMBL2065
 Ki 4.86 4.86 13900.0 1
Unchecked
CHEMBL612545
 Ki 4.6 4.5033 25000.0 3
Subtilisin BL
CHEMBL4258
 Ki 4.51 4.335 31000.0 2
Subtilisin Carlsberg
CHEMBL4299
 Ki 4.43 4.43 37000.0 1
Monoglyceride lipase
CHEMBL4191
 IC50 4.15 4.15 71000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 130.0 nM 6.89 Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... 18983140
Beta-lactamase TEM Ki = 13900.0 nM 4.86 Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Es... -
Unchecked Ki = 25000.0 nM 4.6 Compound was evaluated for the inhibition of SBL-M222C-SEtSO3- enzyme. -
Subtilisin BL Ki = 31000.0 nM 4.51 Competitive inhibition of Subtilisin BL M222C-mutated enzyme from Bacillus lentu... -
Unchecked Ki = 31000.0 nM 4.51 Compound was evaluated for the inhibition of SBL-M222C enzyme. -
Subtilisin Carlsberg Ki = 37000.0 nM 4.43 Competitive inhibition of Subtilisin Carlsberg enzyme from Bacillus lentus -
Unchecked Ki = 40000.0 nM 4.4 Compound was evaluated for the inhibition of SBL-M222C-SEtNH3+ enzyme. -
Subtilisin BL Ki = 69000.0 nM 4.16 Competitive inhibition of Subtilisin BL M222S-mutated enzyme from Bacillus lentu... -
Monoglyceride lipase IC50 = 71000.0 nM 4.15 Inhibition of human recombinant MGL 18983140

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00467-2 Unchecked 5
- 10.1016/0960-894X(96)00466-0 Subtilisin BL 3
- 10.1016/S0960-894X(01)80336-X Beta-lactamase TEM 1
- 10.1016/0960-894X(96)00466-0 Subtilisin Carlsberg 1
18983140 10.1021/jm801051t Fatty-acid amide hydrolase 1 1
18983140 10.1021/jm801051t Monoglyceride lipase 1
35792385 10.1016/j.ejmech.2022.114571 Escherichia coli 1

Data from ChEMBL 36 via Core Engine