Compound Detail
CHEMBL1322675
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 | CHEMBL1322675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWHAUXFOSRPERK-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.24
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 CHEMBL614540 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.32 | 6.32 | 478.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 | EC50 | = | 370.0 | nM | 6.43 | MDR-modulating activity as a measure to inhibit P-glycoprotein (PGP) mediated tr... | 9871549 |
| ATP-dependent translocase ABCB1 | EC50 | = | 478.63 | nM | 6.32 | SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871549 | 10.1016/s0960-894x(98)00115-2 | CCRF-CEM/VCR-1000 | 1 |
| - | 10.6019/CHEMBL2449286 | ATP-dependent translocase ABCB1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine