Compound Detail
CHEMBL3798160
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Basic Information
| ChEMBL ID | CHEMBL3798160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRDDGUBYUUVVGI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
5.43
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.35 | 6.35 | 451.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.16 | 6.16 | 694.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 5.99 | 5.99 | 1030.0 | 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 | = | 451.0 | nM | 6.35 | Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown ori... | 26982372 |
| Apoptosis regulator Bcl-2 | Ki | = | 694.0 | nM | 6.16 | Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown ori... | 26982372 |
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 1030.0 | nM | 5.99 | Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 ... | 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