Compound Detail
CHEMBL285503
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Basic Information
| ChEMBL ID | CHEMBL285503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIAHUXDVSURYKM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.19
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.19
Ki 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 4.32 | 4.32 | 47800.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.19 | 4.19 | 65000.0 | 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 | = | 47800.0 | nM | 4.32 | Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Ro... | 31971799 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibitory concentration against aldose reductase obtained from rat lens | 2491890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 533876 | 10.1021/jm00197a005 | No relevant target | 2 |
| 2491890 | 10.1021/jm00121a027 | Aldo-keto reductase family 1 member B1 | 1 |
| 19388675 | 10.1021/jm900251a | Unchecked | 1 |
| 533876 | 10.1021/jm00197a005 | Rattus norvegicus | 1 |
| 31971799 | 10.1021/acs.jmedchem.9b01442 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 31971799 | 10.1021/acs.jmedchem.9b01442 | Bcl-2-related protein A1 | 1 |
Data from ChEMBL 36 via Core Engine