Compound Detail
CHEMBL388315
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Basic Information
| ChEMBL ID | CHEMBL388315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIOSCDPLBZCHSN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
3.83
ALogP
5
HBA
4
HBD
84.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 4.08 | 4.08 | 84200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A | IC50 | = | 111.0 | nM | 6.96 | Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis... | 17624774 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 166.0 | nM | 6.78 | Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis... | 17624774 |
| FM3A | IC50 | = | 84200.0 | nM | 4.08 | Cytotoxicity in mouse FM3A cells after 48 hrs | 17624774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17624774 | 10.1016/j.bmcl.2007.06.069 | FM3A | 1 |
| 17624774 | 10.1016/j.bmcl.2007.06.069 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 17624774 | 10.1016/j.bmcl.2007.06.069 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
Data from ChEMBL 36 via Core Engine