Compound Detail
CHEMBL69590
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Basic Information
| ChEMBL ID | CHEMBL69590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFTYSVGGYOXFRQ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
200.4
MW (Da)
2.80
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.15 | 4.96 | 7050.0 | 4 |
| Dynamin-1 CHEMBL4958 | IC50 | 4.4 | 4.4 | 39650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 7050.0 | nM | 5.15 | Displacement of [3H]MK-801 from rat brain NMDA receptor | 17112642 |
| Glutamate NMDA receptor | IC50 | = | 7050.0 | nM | 5.15 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 8390.0 | nM | 5.08 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate NMDA receptor | IC50 | = | 34600.0 | nM | 4.46 | Displacement of [3H]MK801 from rat brain NMDA receptor in presence of 30 uM sper... | 17112642 |
| Dynamin-1 | IC50 | = | 39650.0 | nM | 4.4 | Concentration required against dynamin-1 GTPase activity of sheep brain. | 15149689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 15 |
| 19648006 | 10.1016/j.bmcl.2009.07.086 | J774 | 6 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 17112642 | 10.1016/j.ejmech.2006.09.017 | Glutamate NMDA receptor | 2 |
| 15149689 | 10.1016/j.bmcl.2004.03.096 | Dynamin-1 | 1 |
| 12127527 | 10.1016/s0960-894x(02)00367-0 | Nakaseomyces glabratus | 1 |
| 19648006 | 10.1016/j.bmcl.2009.07.086 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine