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Compound Detail

CHEMBL19194

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CC1(CCCCC(=O)O)c2ccccc2-c2nc(O)c3nc(C(=O)O)cn3c21

Basic Information

ChEMBL ID CHEMBL19194
Phase Preclinical
Structure Type MOL
InChI Key QZARVXGDUOQXJD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.06
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O5
MW 381.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.31

Activity Summary

IC50 3 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xenopus sp.
CHEMBL612667
IC50 7.66 7.66 22.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.87 6.87 134.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.62 6.62 242.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11354378 10.1016/s0960-894x(01)00180-9 Mus musculus 3
11354378 10.1016/s0960-894x(01)00180-9 Glutamate receptor ionotropic, AMPA 1
11354378 10.1016/s0960-894x(01)00180-9 Glutamate NMDA receptor 1
11354378 10.1016/s0960-894x(01)00180-9 Xenopus sp. 1

Data from ChEMBL 36 via Core Engine