Compound Detail
CHEMBL455533
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Basic Information
| ChEMBL ID | CHEMBL455533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLAMYAMXTRXKBQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
-0.98
ALogP
5
HBA
1
HBD
102.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SiHa CHEMBL612542 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SiHa | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human SiHa cells after 4 hrs under strict hypoxic condition | 18847185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18847185 | 10.1021/jm800967h | HT-29 | 2 |
| 18847185 | 10.1021/jm800967h | No relevant target | 1 |
| 18847185 | 10.1021/jm800967h | SiHa | 1 |
Data from ChEMBL 36 via Core Engine