Compound Detail
CHEMBL3237250
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COC(=O)c1ccc(C2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3237250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXHFRPBXBAQSDS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
4.48
ALogP
6
HBA
3
HBD
119.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 5.3 | 5.23 | 5000.0 | 2 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 4.28 | 4.28 | 52000.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | EC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 5000.0 | nM | 5.3 | Modulation of recombinant rat GluN1/GluN2C expressed in Xenopus laevis oocytes a... | - |
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 7000.0 | nM | 5.16 | Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes... | 24512267 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 52000.0 | nM | 4.28 | Modulation of recombinant rat GluN1/GluN2D expressed in Xenopus laevis oocytes a... | - |
| Glutamate NMDA receptor; Grin1/Grin2b | EC50 | = | 56000.0 | nM | 4.25 | Modulation of recombinant rat GluN1/GluN2B expressed in Xenopus laevis oocytes a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 24512267 | 10.1021/jm401695d | Ionotropic glutamate receptor NMDA 1/2D | 2 |
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2a | 2 |
| 24512267 | 10.1021/jm401695d | Glutamate NMDA receptor; Grin1/Grin2b | 2 |
Data from ChEMBL 36 via Core Engine