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Compound Detail

CHEMBL19742

TRANS-CPPA
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O=C(O)C[C@H]1CCN[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL19742
Name TRANS-CPPA
Phase Preclinical
Structure Type MOL
InChI Key SAFIVXBDNCNBIX-XINAWCOVSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.48
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.54
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 C7H11NO4
MW 173.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.01

Activity Summary

Ki 3 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.3 6.3 500.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
Ki 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23481645 10.1016/j.bmcl.2013.02.046 Unchecked 4
- 10.1016/S0960-894X(00)80103-1 Excitatory amino acid transporter 2 2
- 10.1016/S0960-894X(96)00284-3 Glutamate receptor ionotropic, kainate 1
- 10.1016/S0960-894X(96)00284-3 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(96)00284-3 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(96)00284-3 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine