Compound Detail
CHEMBL5394140
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
COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O
Basic Information
| ChEMBL ID | CHEMBL5394140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAIKJOGQIJBQEV-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
623.1
MW (Da)
4.98
ALogP
10
HBA
2
HBD
142.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.3 | 5.3 | 4990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 4990.0 | nM | 5.3 | Inhibition of human recombinant P-gp ATPase activity in isolated membranes incub... | 38389870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389870 | 10.1039/d3md00649b | ATP-dependent translocase ABCB1 | 2 |
| 38389870 | 10.1039/d3md00649b | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine