Compound Detail
CHEMBL1562260
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Basic Information
| ChEMBL ID | CHEMBL1562260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHMUHDHLFBVZHC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
0.38
ALogP
7
HBA
2
HBD
100.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 6.43 | 6.43 | 373.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.13 | 5.13 | 7330.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.05 | 5.05 | 8850.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.9 | 4.9 | 12667.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 373.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 7330.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 8850.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 12667.0 | nM | 4.9 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 23000.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24785705 | 10.1021/jm500487d | NAD-dependent protein deacylase sirtuin-6 | 1 |
Data from ChEMBL 36 via Core Engine