Compound Detail
CHEMBL4778579
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Basic Information
| ChEMBL ID | CHEMBL4778579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFNWFOGZRCWFBR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
6.45
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Ki 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.18 | 5.18 | 6613.8 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.07 | 5.07 | 8523.9 | 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 | = | 6613.8 | nM | 5.18 | Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unk... | 32794745 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 8523.9 | nM | 5.07 | Inhibition of N-terminal biotin-labeled BIM BH3 peptide (141 to 166 residues) bi... | 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