Compound Detail
CHEMBL147177
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Basic Information
| ChEMBL ID | CHEMBL147177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCEMQHOYQURRFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.56
ALogP
5
HBA
1
HBD
64.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.72 | 4.72 | 19110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 19110.0 | nM | 4.72 | Cytotoxicity against human HT-29 cells assessed as growth inhibition after 48 hr... | 26413725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26413725 | 10.1016/j.ejmech.2015.09.023 | HT-29 | 2 |
| 9857085 | 10.1021/jm9810304 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine