Compound Detail
CHEMBL5288378
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Basic Information
| ChEMBL ID | CHEMBL5288378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBGPQWXCRVPJIS-ACCUITESSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.40
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.31 | 6.31 | 494.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.24 | 6.24 | 573.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 494.0 | nM | 6.31 | Inhibition of P-gp (unknown origin) | 29016119 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 573.0 | nM | 6.24 | Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase... | 29016119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29016119 | 10.1021/acs.jmedchem.7b00788 | ATP-dependent translocase ABCB1 | 1 |
| 29016119 | 10.1021/acs.jmedchem.7b00788 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine