Compound Detail
CHEMBL2449426
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Cc1cccc(N2CCN(C[C@@H](O)COc3cccc4c3C(=O)[C@@H](Cc3ccccc3)C4)CC2)c1C
Basic Information
| ChEMBL ID | CHEMBL2449426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGNPAKBDYVGKFA-RRPNLBNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.46
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 165.96 | nM | 6.78 | SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2449286 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine