Compound Detail
CHEMBL1505816
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Basic Information
| ChEMBL ID | CHEMBL1505816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPVNWCMRCGXRJD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.22
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.52 | 5.52 | 2991.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13570.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.61 | 4.61 | 24800.0 | 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 | IC50 | = | 2991.44 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 13570.0 | nM | 4.87 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 14800.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 24800.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine