Compound Detail
CHEMBL4461424
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Basic Information
| ChEMBL ID | CHEMBL4461424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCFVTAZKKLSCJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.37
ALogP
4
HBA
3
HBD
112.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 4.15 | 4.15 | 70400.0 | 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 | = | 70400.0 | nM | 4.15 | Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Ro... | 31971799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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