Compound Detail
CHEMBL136791
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(Oc1c(-c2cccc(Oc3ccccc3)c2)c(O)nc2cc(Cl)ccc12)c1ccc(S(=O)(=O)F)cc1
Basic Information
| ChEMBL ID | CHEMBL136791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBQJYLRTQOGVLB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
6.93
ALogP
7
HBA
1
HBD
102.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 7.62 | 7.62 | 24.2 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 24.2 | nM | 7.62 | Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-asp... | 10543883 |
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 2410.0 | nM | 5.62 | Antagonistic activity for suppression of membrane current response elicited by f... | 10543883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543883 | 10.1021/jm9910730 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10543883 | 10.1021/jm9910730 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine