Compound Detail
CHEMBL219793
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Basic Information
| ChEMBL ID | CHEMBL219793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNZOEOOFGYQLKF-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
367.1
MW (Da)
1.91
ALogP
7
HBA
2
HBD
138.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EMT6 CHEMBL614294 | IC50 | 6.06 | 5.04 | 880.0 | 2 |
| V79 CHEMBL614074 | IC50 | 5.87 | 5.08 | 1360.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| WiDr CHEMBL614647 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EMT6 | IC50 | = | 880.0 | nM | 6.06 | Antiproliferative activity against mouse EMT6 NTRpuro cells after 18 hrs | 17326614 |
| V79 | IC50 | = | 1360.0 | nM | 5.87 | Antiproliferative activity against chinese hamster V79 NTRpuro cells after 18 hr... | 17326614 |
| NON-PROTEIN TARGET | IC50 | = | 1570.0 | nM | 5.8 | Antiproliferative activity against human Skov3 NTRneo cells after 18 hrs | 17326614 |
| WiDr | IC50 | = | 2010.0 | nM | 5.7 | Antiproliferative activity against human WiDr NTRneo cells after 18 hrs | 17326614 |
| V79 | IC50 | = | 51000.0 | nM | 4.29 | Antiproliferative activity against chinese hamster wild-type V79 NTR-ve cells af... | 17326614 |
| EMT6 | IC50 | = | 96000.0 | nM | 4.02 | Antiproliferative activity against mouse wild type EMT6 NTR-ve cells after 18 hr... | 17326614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326614 | 10.1021/jm061062o | V79 | 6 |
| 17326614 | 10.1021/jm061062o | EMT6 | 4 |
| 17326614 | 10.1021/jm061062o | No relevant target | 3 |
| 17326614 | 10.1021/jm061062o | WiDr | 3 |
| 17326614 | 10.1021/jm061062o | NON-PROTEIN TARGET | 2 |
| 17326614 | 10.1021/jm061062o | Unchecked | 1 |
| 17326614 | 10.1021/jm061062o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine