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Compound Detail

CHEMBL24980

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O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(C(=O)O)cn12

Basic Information

ChEMBL ID CHEMBL24980
Phase Preclinical
Structure Type MOL
InChI Key KGABLDAFOWCUMF-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
1.33
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O5
MW 325.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.12

Activity Summary

IC50 6 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 8.4 8.05 4.0 4
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.14 5.14 7200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11133083 10.1016/s0960-894x(00)00561-8 Mus musculus 9
11206442 10.1016/s0960-894x(00)00592-8 Mus musculus 3
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic, AMPA 3
11133083 10.1016/s0960-894x(00)00561-8 Rattus norvegicus 3
11206442 10.1016/s0960-894x(00)00592-8 Glutamate receptor ionotropic, AMPA 1
11206442 10.1016/s0960-894x(00)00592-8 Glutamate NMDA receptor 1
11133083 10.1016/s0960-894x(00)00561-8 Glutamate NMDA receptor 1
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine