Compound Detail
CHEMBL1950943
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Basic Information
| ChEMBL ID | CHEMBL1950943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDDOWELGBISNRC-QHHAFSJGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.50
ALogP
3
HBA
2
HBD
81.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| K562 CHEMBL385 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 72.0 | nM | 7.14 | Antiproliferative activity against mouse MMTV-Wnt-1 cells assessed as cell viabi... | 22136251 |
| OCI-AML2 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human OCI-AML2 cells assessed as cell viabili... | 22136251 |
| MOLT-4 | IC50 | = | 140.0 | nM | 6.85 | Antiproliferative activity against human MOLT4 cells assessed as cell viability ... | 22136251 |
| K562 | IC50 | = | 680.0 | nM | 6.17 | Antiproliferative activity against human K562 cells assessed as cell viability a... | 22136251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22136251 | 10.1021/jm2011436 | KG-1 | 4 |
| 22136251 | 10.1021/jm2011436 | K562 | 2 |
| 22136251 | 10.1021/jm2011436 | OCI-AML2 | 2 |
| 22136251 | 10.1021/jm2011436 | MOLT-4 | 2 |
| 22136251 | 10.1021/jm2011436 | NON-PROTEIN TARGET | 1 |
| 22136251 | 10.1021/jm2011436 | Nuclear receptor subfamily 0 group B member 2 | 1 |
Data from ChEMBL 36 via Core Engine