Compound Detail
CHEMBL508681
NEPODIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL508681 |
| Name | NEPODIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMLHPCALHMPJHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
2.76
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.56 | 4.56 | 27430.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.49 | 4.49 | 32280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 27430.0 | nM | 4.56 | Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10... | 24763362 |
| Prostaglandin G/H synthase 2 | IC50 | = | 32280.0 | nM | 4.49 | Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10... | 24763362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0485-8 | Mycobacterium tuberculosis | 2 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Prostaglandin G/H synthase 2 | 2 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Prostaglandin G/H synthase 1 | 2 |
| 2778455 | 10.1021/np50063a035 | Artemia | 1 |
| 2778455 | 10.1021/np50063a035 | A549 | 1 |
| 2778455 | 10.1021/np50063a035 | HT-29 | 1 |
| 2778455 | 10.1021/np50063a035 | NON-PROTEIN TARGET | 1 |
| 2778455 | 10.1021/np50063a035 | Agrobacterium tumefaciens | 1 |
| 21992072 | 10.1021/jf2039185 | Blumeria hordei | 1 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine