Compound Detail
CHEMBL223562
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Basic Information
| ChEMBL ID | CHEMBL223562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSFMLWVTNPALCT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
578.1
MW (Da)
1.90
ALogP
7
HBA
2
HBD
138.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WiDr CHEMBL614647 | IC50 | 6.05 | 5.3 | 882.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WiDr | IC50 | = | 882.0 | nM | 6.05 | Antiproliferative activity against human WiDr NTRneo cells after 18 hrs | 17326614 |
| WiDr | IC50 | = | 28000.0 | nM | 4.55 | Antiproliferative activity against human wild type WiDr NTR-ve cells after 18 hr... | 17326614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326614 | 10.1021/jm061062o | WiDr | 3 |
| 17326614 | 10.1021/jm061062o | V79 | 3 |
| 17326614 | 10.1021/jm061062o | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine