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

CHEMBL307267

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=c1[nH]c2cc(Cl)cc(Cl)c2c(=O)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307267
Phase Preclinical
Structure Type MOL
InChI Key MVMRFDFKPNDLQJ-UHFFFAOYSA-N
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

247.0
MW (Da)
1.23
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H4Cl2N2O3
MW 247.04
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.57

Activity Summary

Ki 6 meas. best 8.24
IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 12
CHEMBL3242
 Ki 8.24 8.24 5.8 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 8.11 8.11 7.7 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 6.7 6.7 200.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.12 6.12 750.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 5.01 4.745 9800.0 2
Glutamate NMDA receptor
CHEMBL1907608
 Ki 4.38 4.38 42000.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 4.28 4.28 52000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 12 Ki = 5.8 nM 8.24 Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins p... 28658574
Carbonic anhydrase 9 Ki = 7.7 nM 8.11 Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins pr... 28658574
Glutamate receptor ionotropic, NMDA 1 Ki = 200.0 nM 6.7 Ability of compound to displace [3H]glycine from N-methyl-D-aspartate glutamate ... 15081038
NON-PROTEIN TARGET IC50 = 750.0 nM 6.12 Ability of compound to inhibit the binding of the channel blocking agent [3H](+)... 15081038
Glutamate receptor ionotropic, AMPA Ki = 9800.0 nM 5.01 Ability of compound to displace [3H]AMPA from Ionotropic glutamate receptor AMPA... 15081038
Glutamate receptor ionotropic, AMPA Ki = 33000.0 nM 4.48 Inhibitory concentration of compound for depolarization induced by 5 uM S-AMPA i... 15081038
Glutamate NMDA receptor Ki = 42000.0 nM 4.38 Inhibitory concentration of compound for depolarization induced by 5 uM NMDA in ... 15081038
Glutamate receptor ionotropic, kainate IC50 = 52000.0 nM 4.28 Ability of compound to displace [3H]- kainate from ionotropic glutamate receptor... 15081038

Literature References

PubMed DOI Target Context # Activities
28658574 10.1021/acs.jmedchem.7b00766 HT-29 12
15081038 10.1016/j.bmcl.2004.01.109 Glutamate receptor ionotropic, AMPA 2
15081038 10.1016/j.bmcl.2004.01.109 Glutamate receptor ionotropic, NMDA 1 1
15081038 10.1016/j.bmcl.2004.01.109 Glutamate receptor ionotropic, kainate 1
15081038 10.1016/j.bmcl.2004.01.109 NON-PROTEIN TARGET 1
15081038 10.1016/j.bmcl.2004.01.109 Glutamate NMDA receptor 1
28658574 10.1021/acs.jmedchem.7b00766 Carbonic anhydrase 9 1
28658574 10.1021/acs.jmedchem.7b00766 Carbonic anhydrase 12 1
28658574 10.1021/acs.jmedchem.7b00766 Carbonic anhydrase 1 1
28658574 10.1021/acs.jmedchem.7b00766 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine