Compound Detail
CHEMBL1165153
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Basic Information
| ChEMBL ID | CHEMBL1165153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYQFYRDFHDRAHI-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
3.68
ALogP
12
HBA
0
HBD
124.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| T98G CHEMBL614775 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.1 | 4.0767 | 80000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 41000.0 | nM | 4.39 | Anticancer activity against human LoVo cells after 24 hrs by MTT assay | 20466556 |
| A549 | IC50 | = | 52000.0 | nM | 4.28 | Anticancer activity against human A549 cells after 24 hrs by MTT assay | 20466556 |
| T98G | IC50 | = | 55000.0 | nM | 4.26 | Anticancer activity against human T98G cells after 24 hrs by MTT assay | 20466556 |
| MCF7 | IC50 | = | 71000.0 | nM | 4.15 | Anticancer activity against human MCF7 cells after 24 hrs by MTT assay | 20466556 |
| NON-PROTEIN TARGET | IC50 | = | 80000.0 | nM | 4.1 | Anticancer activity against human Hs683 cells after 24 hrs by MTT assay | 20466556 |
| NON-PROTEIN TARGET | IC50 | = | 81000.0 | nM | 4.09 | Anticancer activity against human OE21 cells after 24 hrs by MTT assay | 20466556 |
| NON-PROTEIN TARGET | IC50 | = | 91000.0 | nM | 4.04 | Anticancer activity against human U373 cells after 24 hrs by MTT assay | 20466556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466556 | 10.1016/j.bmc.2010.04.047 | NON-PROTEIN TARGET | 3 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | LoVo | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | T98G | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | No relevant target | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | B16-F10 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | OE33 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | PC-3 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | MCF7 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | A549 | 1 |
Data from ChEMBL 36 via Core Engine