Compound Detail
CHEMBL5192932
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Basic Information
| ChEMBL ID | CHEMBL5192932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPSRSNOGHURLY-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
4.15
ALogP
5
HBA
1
HBD
83.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.82
Kd 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.89 | 6.89 | 130.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 CHEMBL3430887 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 6.82 | 6.82 | 150.0 | 1 |
| BCL2/BCL2L11 CHEMBL5169264 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 130.0 | nM | 6.89 | Binding affinity to Mcl-1 H224A (unknown origin) assessed as dissociation consta... | 33333396 |
| Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Mcl-1/Bim (unknown origin) by ELISA method | 33333396 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Kd | = | 150.0 | nM | 6.82 | Binding affinity to wildtype Mcl-1 (unknown origin) assessed as dissociation con... | 33333396 |
| BCL2/BCL2L11 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of Bcl-2/Bim (unknown origin) by ELISA method | 33333396 |
| K562 | IC50 | = | 7300.0 | nM | 5.14 | Cytotoxicity against human K562 cells | 33333396 |
| HeLa | IC50 | = | 10400.0 | nM | 4.98 | Cytotoxicity against human HeLa cells | 33333396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333396 | 10.1016/j.ejmech.2020.113038 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | Unchecked | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | HeLa | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | K562 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 | 1 |
| 33333396 | 10.1016/j.ejmech.2020.113038 | BCL2/BCL2L11 | 1 |
Data from ChEMBL 36 via Core Engine