Compound Detail
CHEMBL40860
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
COc1cc(C2Oc3cc(-c4oc5cc(O)c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3OC2CO)ccc1O
Basic Information
| ChEMBL ID | CHEMBL40860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABFAWGKLNUGEDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.5
MW (Da)
4.67
ALogP
10
HBA
5
HBD
159.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL2573 | Kd | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | Kd | = | 370.0 | nM | 6.43 | Compound was tested for the binding affinity towards recombinant NBD2 C-terminal... | 10673101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10673101 | 10.1016/s0960-894x(99)00636-8 | ATP-dependent translocase ABCB1 | 1 |
| 10673101 | 10.1016/s0960-894x(99)00636-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine