Compound Detail
CHEMBL5276607
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Basic Information
| ChEMBL ID | CHEMBL5276607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTEUSYJIYSWWOC-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.80
ALogP
5
HBA
3
HBD
117.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| PLC-PRF-5 CHEMBL1075561 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| ES-2 CHEMBL5058622 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 160.0 | nM | 6.8 | Inhibition of porcine kidney aminopeptidase N | 32791404 |
| U-937 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human U-937 cells assessed as inhibition of cell growth by ... | 32791404 |
| K562 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human K562 cells assessed as inhibition of cell growth by M... | 32791404 |
| PLC-PRF-5 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human PLC-PRF-5 cells assessed as inhibition of cell growth... | 32791404 |
| PC-3 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human PC-3 cells assessed as inhibition of cell growth by M... | 32791404 |
| ES-2 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human ES2 cells assessed as inhibition of cell growth by MT... | 32791404 |
| HepG2 | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth by ... | 32791404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32791404 | 10.1016/j.ejmech.2020.112679 | Aminopeptidase N | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | U-937 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | K562 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | PLC-PRF-5 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | PC-3 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | ES-2 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine