Compound Detail
CHEMBL3800356
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Basic Information
| ChEMBL ID | CHEMBL3800356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAOKRVGFJLGJRV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.27
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 5.13 | 5.13 | 7420.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.09 | 5.09 | 8110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 7420.0 | nM | 5.13 | Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 ... | 26982372 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 8110.0 | nM | 5.09 | Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown ori... | 26982372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26982372 | 10.1021/acs.jmedchem.5b01913 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 26982372 | 10.1021/acs.jmedchem.5b01913 | Apoptosis regulator Bcl-2 | 1 |
| 26982372 | 10.1021/acs.jmedchem.5b01913 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine