Compound Detail
CHEMBL9490
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CC(C)(C)/N=C(\N)c1ccc(N2CCCN(c3ccc(/C(N)=N/C(C)(C)C)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL9490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFHSSHACDUCBK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
448.7
MW (Da)
4.41
ALogP
4
HBA
2
HBD
83.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 34600.0 | nM | 4.46 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 12620080 | 10.1021/jm020375q | Trypanosoma brucei | 3 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Pneumocystis carinii | 2 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Nucleic Acid | 1 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Unchecked | 1 |
| 12620080 | 10.1021/jm020375q | Calf thymus DNA | 1 |
| 12620080 | 10.1021/jm020375q | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine