Compound Detail
CHEMBL1382917
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Basic Information
| ChEMBL ID | CHEMBL1382917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOHMZCIULLCGBK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1618929 |
| Active Moiety | CHEMBL1618929 |
10
Targets
16
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
5.39
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 6.2
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 4.9867 | 630.0 | 3 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 5.55 | 5.55 | 2800.0 | 3 |
| Jurkat CHEMBL397 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.8 | 4.8 | 15670.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.79 | 4.71 | 16100.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.27 | 4.27 | 53929.0 | 1 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.14 | 4.14 | 72809.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28051303 | 10.1021/acs.jmedchem.6b01203 | Candida albicans | 3 |
Data from ChEMBL 36 via Core Engine