Compound Detail
CHEMBL5565003
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COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL5565003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVWPOIUAPXDLMB-MUUNZHRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
3.81
ALogP
8
HBA
1
HBD
92.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | EC50 | = | 0.89 | nM | 9.05 | Positive allosteric modulation of EAAT2 (unknown origin) transfected in African ... | 38626917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine