Compound Detail
CHEMBL1734430
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Basic Information
| ChEMBL ID | CHEMBL1734430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YINAAZRIIMRSGH-CMDGGOBGSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.11 | 5.11 | 7800.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.78 | 4.78 | 16700.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.66 | 4.66 | 22140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 7800.0 | nM | 5.11 | Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell viabilit... | 31673309 |
| MIA PaCa-2 | IC50 | = | 7800.0 | nM | 5.11 | Antiproliferative activity against human MIAPaCa2 cells assessed as reduction in... | 31191862 |
| HeLa | IC50 | = | 16700.0 | nM | 4.78 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 31673309 |
| HeLa | IC50 | = | 16700.0 | nM | 4.78 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 31191862 |
| Heat shock factor protein 1 | EC50 | = | 22140.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31673309 | 10.1039/C9MD00052F | MIA PaCa-2 | 19 |
| 31191862 | 10.1039/C9MD00010K | MIA PaCa-2 | 17 |
| 31191862 | 10.1039/C9MD00010K | A549 | 2 |
| 31191862 | 10.1039/C9MD00010K | HeLa | 2 |
| 31191862 | 10.1039/C9MD00010K | U-937 | 2 |
| 31191862 | 10.1039/C9MD00010K | REH | 2 |
| 31673309 | 10.1039/C9MD00052F | HeLa | 1 |
| 31673309 | 10.1039/C9MD00052F | U-937 | 1 |
| 31673309 | 10.1039/C9MD00052F | A549 | 1 |
| 31673309 | 10.1039/C9MD00052F | REH | 1 |
| 31673309 | 10.1039/C9MD00052F | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine