Compound Detail
CHEMBL4097987
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Basic Information
| ChEMBL ID | CHEMBL4097987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNIFJZPKOXMOFI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
4.84
ALogP
4
HBA
1
HBD
60.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.82 | 5.82 | 1500.0 | 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 | = | 1500.0 | nM | 5.82 | Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH... | 28343875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28343875 | 10.1016/j.bmcl.2017.03.028 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine