Compound Detail
CHEMBL2387748
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Basic Information
| ChEMBL ID | CHEMBL2387748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSBWHDDGWSYETA-SNAWJCMRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
2.80
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25300.0 | nM | 4.6 | Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed ... | 23682762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32240584 | 10.1021/acs.jmedchem.0c00007 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 6 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| 23682762 | 10.1021/jm400374q | No relevant target | 1 |
| 34928151 | 10.1021/acs.jmedchem.1c01803 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1 |
| 37423127 | 10.1016/j.ejmech.2023.115569 | HTH-type transcriptional regulator EthR | 1 |
Data from ChEMBL 36 via Core Engine