Compound Detail
CHEMBL1354016
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Basic Information
| ChEMBL ID | CHEMBL1354016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWKXQHLLOBUTGE-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.74
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.23
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.23 | 5.23 | 5862.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.83 | 4.83 | 14833.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.35 | 4.35 | 44880.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.31 | 4.31 | 49200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.08 | 4.08 | 82620.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 4.03 | 4.03 | 93070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 170.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Confirmation dose response of additional hit compounds from hi... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 5862.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 14833.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 44880.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| K562 | IC50 | = | 49200.0 | nM | 4.31 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 23995213 |
| MCF7 | IC50 | = | 82620.0 | nM | 4.08 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 23995213 |
| MGC-803 | IC50 | = | 93070.0 | nM | 4.03 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 23995213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23995213 | 10.1016/j.ejmech.2013.07.017 | K562 | 2 |
| 23995213 | 10.1016/j.ejmech.2013.07.017 | HEK-293T | 1 |
| 23995213 | 10.1016/j.ejmech.2013.07.017 | MCF7 | 1 |
| 23995213 | 10.1016/j.ejmech.2013.07.017 | HCT-116 | 1 |
| 23995213 | 10.1016/j.ejmech.2013.07.017 | MGC-803 | 1 |
| 23995213 | 10.1016/j.ejmech.2013.07.017 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine