Compound Detail
CHEMBL3199065
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Basic Information
| ChEMBL ID | CHEMBL3199065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URELFUGYBZRLFD-LNKIKWGQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
1.19
ALogP
9
HBA
3
HBD
156.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.64 | 4.64 | 23052.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.52 | 4.52 | 30020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 2790.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 20600.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 23052.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Aminopeptidase N | IC50 | = | 30020.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine