Compound Detail
CHEMBL393025
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Basic Information
| ChEMBL ID | CHEMBL393025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUKWXOPJLRICKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.40
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 6.8 | 6.55 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay | 17944451 |
| MIA PaCa-2 | IC50 | = | 504.0 | nM | 6.3 | 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 |
| 17944451 | 10.1021/jm070396q | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine