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

CHEMBL310286

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)c(-n3cnnc3)cc2c(=O)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310286
Phase Preclinical
Structure Type MOL
InChI Key NROYJBQQKRDBOW-UHFFFAOYSA-N
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

279.6
MW (Da)
0.16
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6ClN5O3
MW 279.64
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.04

Activity Summary

Ki 6 meas. best 8.18
IC50 4 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 12
CHEMBL3242
 Ki 8.18 8.18 6.6 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 7.48 7.48 33.3 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 6.6 6.18 250.0 3
Glutamate receptor ionotropic, AMPA
CHEMBL2096617
 IC50 5.34 5.34 4600.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 5.16 5.16 7000.0 1
Unchecked
CHEMBL612545
 IC50 5.16 4.62 7000.0 2
Glutamate NMDA receptor
CHEMBL1907608
 Ki 4.08 4.08 84000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 12 Ki = 6.6 nM 8.18 Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins p... 28658574
Carbonic anhydrase 9 Ki = 33.3 nM 7.48 Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins pr... 28658574
Glutamate receptor ionotropic, AMPA Ki = 250.0 nM 6.6 Ability of compound to displace [3H]AMPA from Ionotropic glutamate receptor AMPA... 15081038
Glutamate receptor ionotropic, AMPA Ki = 250.0 nM 6.6 Displacement of [3H]AMPA from AMPA receptor in rat cortical synaptic membrane 17004715
Glutamate receptor ionotropic, AMPA IC50 = 4600.0 nM 5.34 Antagonist activity against AMPA receptor assessed as inhibition of SAMPA-induce... 17004715
Glutamate receptor ionotropic, AMPA Ki = 4600.0 nM 5.34 Inhibitory concentration of compound for depolarization induced by 5 uM S-AMPA i... 15081038
Glutamate receptor ionotropic, kainate IC50 = 7000.0 nM 5.16 Ability of compound to displace [3H]- kainate from ionotropic glutamate receptor... 15081038
Unchecked IC50 = 7000.0 nM 5.16 Displacement of [3H]KA from high affinity KA receptor in rat cortical membrane 17004715
Unchecked IC50 = 84000.0 nM 4.08 Antagonist activity against NMDA receptor assessed as inhibition of NMDA-induced... 17004715
Glutamate NMDA receptor Ki = 84000.0 nM 4.08 Inhibitory concentration of compound for depolarization induced by 5 uM NMDA in ... 15081038

Literature References

PubMed DOI Target Context # Activities
15081038 10.1016/j.bmcl.2004.01.109 Glutamate receptor ionotropic, AMPA 2
17004715 10.1021/jm0604880 Glutamate receptor ionotropic, AMPA 2
17004715 10.1021/jm0604880 Unchecked 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
17004715 10.1021/jm0604880 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