Compound Detail
CHEMBL4528399
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Basic Information
| ChEMBL ID | CHEMBL4528399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYFVYDVABUGTFI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.81
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 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 | 6100.0 | 1 |
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 4.97 | 4.97 | 10600.0 | 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 | = | 6100.0 | nM | 5.21 | Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Ro... | 31971799 |
| Bcl-2-related protein A1 | Ki | = | 10600.0 | nM | 4.97 | Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed ... | 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