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Compound Detail

CHEMBL293523

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O=C(O)C[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21

Basic Information

ChEMBL ID CHEMBL293523
Phase Preclinical
Structure Type MOL
InChI Key CHHZLBUNRQPRRK-MLUIRONXSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

304.1
MW (Da)
2.82
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.80
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 C12H11Cl2NO4
MW 304.13
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.04

Activity Summary

IC50 3 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.13 6.9633 74.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 2
7990104 10.1021/jm00050a001 Mus musculus 2
- 10.1016/S0960-894X(00)80093-1 Mus musculus 2
1534583 10.1021/jm00089a003 Glutamate NMDA receptor 1
1534583 10.1021/jm00089a003 Glutamate receptors; NMDA/AMPA 1
- 10.1016/S0960-894X(00)80093-1 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80093-1 Rattus norvegicus 1
- 10.1016/S0960-894X(00)80093-1 Unchecked 1

Data from ChEMBL 36 via Core Engine