Compound Detail
CHEMBL4294040
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Basic Information
| ChEMBL ID | CHEMBL4294040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODQIKBJYBCIFRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
5.35
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.65 | 7.65 | 22.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.23 | nM | 7.65 | Inhibition of porcine CEase using para-nitrophenyl butyrate as substrate preincu... | 30108939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108939 | 10.1039/C7MD00565B | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine