Compound Detail
CHEMBL4514827
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4514827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AORLPWHDMMBIES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.02
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reductio... | 30384046 |
| Multidrug resistance-associated protein 1 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as reductio... | 30384046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30384046 | 10.1016/j.ejmech.2018.10.043 | ATP-dependent translocase ABCB1 | 2 |
| 30384046 | 10.1016/j.ejmech.2018.10.043 | MDCK | 1 |
| 30384046 | 10.1016/j.ejmech.2018.10.043 | Unchecked | 1 |
| 30384046 | 10.1016/j.ejmech.2018.10.043 | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine