Compound Detail
CHEMBL1703189
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Basic Information
| ChEMBL ID | CHEMBL1703189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKTFTTAOICEELK-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.96
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.28 | 4.98 | 5270.0 | 3 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.92 | 4.92 | 12085.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.48 | 4.48 | 33024.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 5270.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| CHO | IC50 | = | 12085.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 13900.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 15900.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
| Toll-like receptor 9 | IC50 | = | 33024.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine