Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL190724

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)[C@H]1NCCN(C(=O)c2ccc3ccccc3c2)[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190724
Phase Preclinical
Structure Type MOL
InChI Key GOTATFFBYNVNIS-UONOGXRCSA-N
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
0.79
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.77
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 C17H16N2O5
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.34

Activity Summary

Ki 11 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.62 5.3975 2380.0 4
Glutamate NMDA receptor; Grin1/Grin2c
CHEMBL2096911
 Ki 5.41 5.41 3890.0 2
Ionotropic glutamate receptor NMDA 1/2D
CHEMBL3038506
 Ki 5.03 5.03 9300.0 1
Glutamate NMDA receptor; Grin1/Grin2a
CHEMBL2096680
 Ki 5.02 5.02 9600.0 2
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
 Ki 4.74 4.74 18200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2380.0 nM 5.62 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Unchecked Ki = 2470.0 nM 5.61 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Glutamate NMDA receptor; Grin1/Grin2c Ki = 3890.0 nM 5.41 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Glutamate NMDA receptor; Grin1/Grin2c Ki = 3900.0 nM 5.41 Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus l... 22111545
Unchecked Ki = 4680.0 nM 5.33 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Unchecked Ki = 9260.0 nM 5.03 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Ionotropic glutamate receptor NMDA 1/2D Ki = 9300.0 nM 5.03 Antagonist activity rat recombinant GluN1/GluN2D receptor expressed in Xenopus l... 22111545
Glutamate NMDA receptor; Grin1/Grin2a Ki = 9600.0 nM 5.02 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Glutamate NMDA receptor; Grin1/Grin2a Ki = 9600.0 nM 5.02 Antagonist activity at rat recombinant GluN1/GluN2A receptor expressed in Xenopu... 22111545
Glutamate NMDA receptor; Grin1/Grin2b Ki = 18200.0 nM 4.74 Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... 15801853
Glutamate NMDA receptor; Grin1/Grin2b Ki = 18200.0 nM 4.74 Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus l... 22111545

Literature References

PubMed DOI Target Context # Activities
15801853 10.1021/jm0492498 Unchecked 4
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2a 1
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2b 1
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2c 1
22111545 10.1021/jm201230z Glutamate NMDA receptor; Grin1/Grin2a 1
22111545 10.1021/jm201230z Glutamate NMDA receptor; Grin1/Grin2b 1
22111545 10.1021/jm201230z Glutamate NMDA receptor; Grin1/Grin2c 1
22111545 10.1021/jm201230z Ionotropic glutamate receptor NMDA 1/2D 1
22111545 10.1021/jm201230z Glutamate receptor ionotropic, kainate 1 1
22111545 10.1021/jm201230z Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine