Compound Detail
CHEMBL240785
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Basic Information
| ChEMBL ID | CHEMBL240785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNPDECAZUFYXPU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
-0.75
ALogP
7
HBA
1
HBD
100.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SiHa CHEMBL612542 | IC50 | 4.39 | 4.39 | 40900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SiHa | IC50 | = | 40900.0 | nM | 4.39 | Cytotoxicity against human SiHa cells under hypoxic conditions after 4 hrs | 18001018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18001018 | 10.1021/jm070670g | HT-29 | 3 |
| 18001018 | 10.1021/jm070670g | SiHa | 2 |
| 18001018 | 10.1021/jm070670g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine