Compound Detail
CHEMBL2074900
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Basic Information
| ChEMBL ID | CHEMBL2074900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NERVJFDGDIPHLJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.8
MW (Da)
3.93
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 3 CHEMBL2073673 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 3 | IC50 | = | 50.0 | nM | 7.3 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK... | 12110607 |
| Solute carrier family 22 member 2 | IC50 | = | 100.0 | nM | 7.0 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK... | 12110607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 3 | 1 |
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 2 | 1 |
| 12110607 | 10.1038/sj.bjp.0704785 | Solute carrier family 22 member 1 | 1 |
Data from ChEMBL 36 via Core Engine