Compound Detail
CHEMBL465679
CLATHRODIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL465679 |
| Name | CLATHRODIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJKFCZYTTBYEHL-HNQUOIGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.76
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human N-terminal Ecto-5'-nucleotidase | 33588288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 1 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 2 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 3 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 4 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 6 | 2 |
| - | 10.1021/np50074a051 | CHO-K1 | 1 |
| - | 10.1021/np50074a051 | Unchecked | 1 |
| - | 10.1039/C4MD00286E | HepG2 | 1 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Voltage-gated delayed rectifier potassium channel KCNH1 | 1 |
| 33588288 | 10.1016/j.bmc.2021.116058 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine