Compound Detail
CHEMBL2314193
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Basic Information
| ChEMBL ID | CHEMBL2314193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQKXEZIKGBCCDX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
5.15
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.52 | 6.395 | 300.0 | 2 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 5.28 | 5.28 | 5300.0 | 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 | = | 300.0 | nM | 6.52 | Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) ... | 23244564 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 540.0 | nM | 6.27 | Binding affinity to Mcl-1 (unknown origin) pre-incubated for 30 mins followed by... | 39121336 |
| Apoptosis regulator Bcl-2 | Ki | = | 5300.0 | nM | 5.28 | Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1... | 23244564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23244564 | 10.1021/jm301448p | Apoptosis regulator Bcl-2 | 1 |
| 23244564 | 10.1021/jm301448p | Bcl-2-like protein 1 | 1 |
| 23244564 | 10.1021/jm301448p | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 39121336 | 10.1021/acs.jmedchem.4c00643 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 39121336 | 10.1021/acs.jmedchem.4c00643 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine