Compound Detail
CHEMBL2449460
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O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL2449460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCVRVJVTDQSDFC-WJOKGBTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
5.80
ALogP
6
HBA
2
HBD
79.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 7.07 | 7.07 | 85.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 85.11 | nM | 7.07 | 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