Compound Detail
CHEMBL23479
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Basic Information
| ChEMBL ID | CHEMBL23479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JODCQKTVDXZQEP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
3.44
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Transient receptor potential cation channel subfamily M member 2 CHEMBL1250402 | IC50 | 4.12 | 4.12 | 76000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetr... | 22263837 |
| Aldo-keto reductase family 1 member C2 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetr... | 22263837 |
| Transient receptor potential cation channel subfamily M member 2 | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of human TRPM2 expressed in HEK293 cells assessed as inhibition of AD... | 24304219 |
| Transient receptor potential cation channel subfamily M member 2 | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR... | 33784097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784097 | 10.1021/acs.jmedchem.0c02129 | Transient receptor potential cation channel subfamily M member 2 | 2 |
| 8487264 | 10.1021/jm00061a019 | No relevant target | 1 |
| 8487264 | 10.1021/jm00061a019 | H4 | 1 |
| 22263837 | 10.1021/jm201547v | Aldo-keto reductase family 1 member C3 | 1 |
| 22263837 | 10.1021/jm201547v | Aldo-keto reductase family 1 member C2 | 1 |
| 22263837 | 10.1021/jm201547v | Unchecked | 1 |
| 24304219 | 10.1021/jm401497a | Transient receptor potential cation channel subfamily M member 2 | 1 |
Data from ChEMBL 36 via Core Engine