Compound Detail
CHEMBL260377
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Basic Information
| ChEMBL ID | CHEMBL260377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIZNGVIPVFMLRQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.88
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 4.08 | 4.08 | 83700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 83700.0 | nM | 4.08 | Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells | 17936633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17936633 | 10.1016/j.bmc.2007.09.039 | Caco-2 | 3 |
| 17936633 | 10.1016/j.bmc.2007.09.039 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine