Compound Detail
CHEMBL347534
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 | CHEMBL347534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCGVBHISQBBIQF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
89.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | Ki | = | 100.0 | nM | 7.0 | High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-aff... | 12477351 |
| ATP-dependent translocase ABCB1 | IC50 | = | 500.0 | nM | 6.3 | Concentration required for 50% inhibition at binding site of human P-Glycoprotei... | 12477351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33799173 | 10.1016/j.bmc.2021.116116 | ADMET | 5 |
| 12477351 | 10.1021/jm020941h | ATP-dependent translocase ABCB1 | 3 |
| 12477351 | 10.1021/jm020941h | No relevant target | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine