Compound Detail
CHEMBL444172
ZOSUQUIDAR 🧪 Phase III
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
🧪 Phase III
O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL444172 |
| Name | ZOSUQUIDAR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | IHOVFYSQUDPMCN-DBEBIPAYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
1
Known Names
1
Indications
1
Mechanisms
Molecular Properties
527.6
MW (Da)
5.21
ALogP
5
HBA
1
HBD
48.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| P-glycoprotein 1 inhibitor | INHIBITOR | ATP-dependent translocase ABCB1 | ✓ | ✓ |
Indications
Leukemia
Activity Summary
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 7.23 | 7.23 | 58.9 | 1 |
| SW-620 CHEMBL612262 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 58.88 | nM | 7.23 | Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VC... | 22452412 |
| SW-620 | IC50 | = | 59.0 | nM | 7.23 | Reversal of resistance to paclitaxel-induced cytotoxicity in human SW-620/AD300 ... | 34723530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29251928 | 10.1021/acs.jmedchem.7b01340 | ATP-dependent translocase ABCB1 | 3 |
| 29251928 | 10.1021/acs.jmedchem.7b01340 | HEK293 | 3 |
| 18954040 | 10.1021/jm800403b | NIH3T3 | 2 |
| 18954040 | 10.1021/jm800403b | ADMET | 2 |
| 18954040 | 10.1021/jm800403b | ATP-dependent translocase ABCB1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 34723530 | 10.1021/acs.jmedchem.1c01498 | SW-620 | 2 |
| 22452412 | 10.1021/jm201705f | ATP-dependent translocase ABCB1 | 1 |
| 29251920 | 10.1021/acs.jmedchem.7b01457 | Unchecked | 1 |
| 31699608 | 10.1016/j.bmcl.2019.126750 | Unchecked | 1 |
| 30777609 | 10.1016/j.bmcl.2019.02.010 | Unchecked | 1 |
| 33729781 | 10.1021/acs.jmedchem.0c01826 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine