Compound Detail
CHEMBL4584575
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Basic Information
| ChEMBL ID | CHEMBL4584575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAAXLQBGLWWRIG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.81
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Organic anion transporter 3 CHEMBL1641348 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1641347 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Organic anion transporter 3 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduct... | 30892891 |
| Solute carrier family 22 member 6 | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of OAT1 (unknown origin) expressed in HEK293 cells assessed as reduct... | 30892891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30892891 | 10.1021/acs.jnatprod.8b00888 | Rattus norvegicus | 6 |
| 30892891 | 10.1021/acs.jnatprod.8b00888 | Organic anion transporter 3 | 3 |
| 30892891 | 10.1021/acs.jnatprod.8b00888 | Solute carrier family 22 member 6 | 3 |
| 30892891 | 10.1021/acs.jnatprod.8b00888 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine