Compound Detail
CHEMBL1397359
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Basic Information
| ChEMBL ID | CHEMBL1397359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKARVQVXSGHYQS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
1.86
ALogP
9
HBA
1
HBD
129.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.35 | 5.35 | 4450.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.06 | 5.06 | 8790.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.14 | 4.14 | 72600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4450.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 8790.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 23700.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 72600.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine