Compound Detail
CHEMBL1981446
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Basic Information
| ChEMBL ID | CHEMBL1981446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVVKNKDBZMZCCR-BRJLIKDPSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.00
ALogP
5
HBA
3
HBD
86.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.68
EC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.68 | 5.5 | 2080.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.27 | 4.27 | 53300.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.13 | 4.13 | 74400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 2080.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 2390.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 2700.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 4760.0 | nM | 5.32 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 53300.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 74400.0 | nM | 4.13 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
Data from ChEMBL 36 via Core Engine