Compound Detail
CHEMBL237847
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Basic Information
| ChEMBL ID | CHEMBL237847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRFNBEZIAWKNCO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
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 3 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.25 | 4.195 | 56480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 56480.0 | nM | 4.25 | Cytotoxicity against human MIA PaCa2 cells after 4 hrs by MTT assay | 17944451 |
| MIA PaCa-2 | IC50 | = | 73100.0 | nM | 4.14 | Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay | 17944451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17944451 | 10.1021/jm070396q | MIA PaCa-2 | 2 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 2 |
| 19128860 | 10.1016/j.ejmech.2008.12.004 | Cytochrome P450 3A4 | 1 |
| 24499135 | 10.1021/jm401808n | Quinolone resistance protein NorA | 1 |
| 28129991 | 10.1016/j.bmc.2017.01.012 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 28129991 | 10.1016/j.bmc.2017.01.012 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 29289891 | 10.1016/j.ejmech.2017.12.070 | MRC5 | 1 |
| 29289891 | 10.1016/j.ejmech.2017.12.070 | T98G | 1 |
| 29289891 | 10.1016/j.ejmech.2017.12.070 | U-118-MG | 1 |
| 29289891 | 10.1016/j.ejmech.2017.12.070 | U-87 MG | 1 |
| 29870665 | 10.1021/acs.jmedchem.7b01620 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine