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Compound Detail

CHEMBL478141

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COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478141
Phase Preclinical
Structure Type MOL
InChI Key RYWFTNOOUZJXNY-UHFFFAOYSA-N

Known Names

BAS 8770945
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names

Molecular Properties

418.4
MW (Da)
3.48
ALogP
5
HBA
2
HBD
99.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H22N2O5
MW 418.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.66

Activity Summary

EC50 2 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor; Grin1/Grin2c
CHEMBL2096911
 EC50 4.62 4.62 24000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor; Grin1/Grin2c EC50 = 24000.0 nM 4.62 Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes... 24512267
Glutamate NMDA receptor; Grin1/Grin2c EC50 = 24000.0 nM 4.62 Modulation of recombinant rat GluN1/GluN2C expressed in Xenopus laevis oocytes a... -

Literature References

PubMed DOI Target Context # Activities
24512267 10.1021/jm401695d Glutamate NMDA receptor; Grin1/Grin2c 10
24512267 10.1021/jm401695d Unchecked 6
19179076 10.1016/j.bmcl.2009.01.005 Serine/threonine-protein kinase pim-1 4
24512267 10.1021/jm401695d Ionotropic glutamate receptor NMDA 1/2D 1
24512267 10.1021/jm401695d Glutamate receptor 1 1
24512267 10.1021/jm401695d Glutamate receptor ionotropic, kainate 2 1
24512267 10.1021/jm401695d Glutamate NMDA receptor; Grin1/Grin2a 1
24512267 10.1021/jm401695d Glutamate NMDA receptor; Grin1/Grin2b 1

Data from ChEMBL 36 via Core Engine