Compound Detail
CHEMBL3238499
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Nc1ccc(-c2ccc(N/N=C3\C(=O)c4c(N)cc(S(=O)(=O)O)cc4C=C3S(=O)(=O)O)c(F)c2)cc1F
Basic Information
| ChEMBL ID | CHEMBL3238499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEPJZLPUPYBVNM-HFTWOUSFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.5
MW (Da)
2.94
ALogP
9
HBA
5
HBD
202.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of rat brain VGLUT assessed as inhibition of [3H]glutamate uptake int... | 24686010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24686010 | 10.1016/j.ejmech.2014.03.056 | Unchecked | 2 |
| 24686010 | 10.1016/j.ejmech.2014.03.056 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine