Compound Detail
CHEMBL1737005
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Basic Information
| ChEMBL ID | CHEMBL1737005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNZIUIOSXDGDAP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
3.84
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.75 | 5.75 | 1790.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoethanolamine/phosphocholine phosphatase | IC50 | = | 1790.0 | nM | 5.75 | PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay... | - |
| Phosphoethanolamine/phosphocholine phosphatase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as... | 25124115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphoethanolamine/phosphocholine phosphatase | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphomannomutase 2 | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Mannose-6-phosphate isomerase | 1 |
| 27748121 | 10.1021/acs.jmedchem.6b01280 | Thymidylate kinase | 1 |
Data from ChEMBL 36 via Core Engine