Compound Detail
CHEMBL2314369
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Basic Information
| ChEMBL ID | CHEMBL2314369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYZUQHDRPNJOCG-UHFFFAOYSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
1.71
ALogP
3
HBA
0
HBD
64.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 4.29
IC50 1 meas. best 4.15
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.54 | 5.54 | 2850.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 4.29 | 4.2833 | 51390.0 | 3 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.15 | 4.15 | 71500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23273520 | 10.1016/j.bmcl.2012.11.117 | Thymidylate synthase | 4 |
| 23220642 | 10.1016/j.ejmech.2012.10.050 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 3 |
| 23314054 | 10.1016/j.ejmech.2012.12.016 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
Data from ChEMBL 36 via Core Engine