Compound Detail
CHEMBL237459
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Basic Information
| ChEMBL ID | CHEMBL237459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCNTZFIIOFTKIY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
95.1
MW (Da)
0.79
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.75 | 4.555 | 17796.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 17796.0 | nM | 4.75 | Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay | 17944451 |
| MIA PaCa-2 | IC50 | = | 43203.0 | nM | 4.36 | Cytotoxicity against human MIA PaCa2 cells after 4 hrs by MTT assay | 17944451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17944451 | 10.1021/jm070396q | MIA PaCa-2 | 2 |
Data from ChEMBL 36 via Core Engine