Compound Detail
CHEMBL4744295
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
Basic Information
| ChEMBL ID | CHEMBL4744295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFNSJOLRFUBTHZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
5.30
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.21 | 5.21 | 6127.3 | 1 |
| K562 CHEMBL385 | IC50 | 4.48 | 4.48 | 32800.0 | 1 |
| NCI-H929 CHEMBL4296391 | IC50 | 4.43 | 4.43 | 37400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 6127.3 | nM | 5.21 | Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unk... | 32794745 |
| K562 | IC50 | = | 32800.0 | nM | 4.48 | Cytotoxicity against human K562 cells after 24 hrs by MTT assay | 32794745 |
| NCI-H929 | IC50 | = | 37400.0 | nM | 4.43 | Cytotoxicity against human NCI-H929 cells after 24 hrs by MTT assay | 32794745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32794745 | 10.1021/acs.jmedchem.9b02047 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 3 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | Unchecked | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | L-363 | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | K562 | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | NCI-H929 | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | LP-1 | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | MM1.S | 1 |
| 32794745 | 10.1021/acs.jmedchem.9b02047 | KMS-12-PE | 1 |
Data from ChEMBL 36 via Core Engine