Compound Detail
CHEMBL367741
DIFFRACTAIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL367741 |
| Name | DIFFRACTAIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIJKZXWOOXIEEU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.56
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| PMNL CHEMBL613706 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 2600.0 | nM | 5.58 | Antiproliferative activity against human HaCaT cells | 10395495 |
| PMNL | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of LTB4 biosynthesis in A-23187-stimulated bovine PMNL cells | 10395494 |
| NON-PROTEIN TARGET | EC50 | = | 14400.0 | nM | 4.84 | Antiviral activity against JC polyomavirus M1/SVEdelta infected in human SVG-A c... | 19258267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083483 | 10.1021/jm960759e | Human immunodeficiency virus type 1 integrase | 2 |
| 10395494 | 10.1021/np9803777 | Unchecked | 2 |
| 10395495 | 10.1021/np980378z | HaCaT | 2 |
| 19258267 | 10.1128/aac.01614-08 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10395494 | 10.1021/np9803777 | PMNL | 1 |
| 10395494 | 10.1021/np9803777 | Radical scavenging activity | 1 |
| 19258267 | 10.1128/aac.01614-08 | NON-PROTEIN TARGET | 1 |
| 22280816 | 10.1016/j.ejmech.2011.12.029 | Mycobacterium tuberculosis | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine