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Compound Detail

CHEMBL24875

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O=C(O)Cc1cccc2c1Cc1c-2nc(O)c2nc(-c3ccc(C(=O)O)cc3)cn12

Basic Information

ChEMBL ID CHEMBL24875
Phase Preclinical
Structure Type MOL
InChI Key XXVDZWXTCVZDLM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.00
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15N3O5
MW 401.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 7.92 7.92 12.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11206442 10.1016/s0960-894x(00)00592-8 Mus musculus 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

Data from ChEMBL 36 via Core Engine