Compound Detail
CHEMBL5271583
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Basic Information
| ChEMBL ID | CHEMBL5271583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRIIKUUDHMZSGB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.33
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.9 | 4.9 | 12520.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.69 | 4.69 | 20550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 2170.0 | nM | 5.66 | Antiproliferative activity against human NCI-H1975 cells assessed as cell growth... | 36332552 |
| A-431 | IC50 | = | 3690.0 | nM | 5.43 | Antiproliferative activity against human A-431 cells assessed as cell growth inh... | 36332552 |
| PANC-1 | IC50 | = | 4580.0 | nM | 5.34 | Antiproliferative activity against human PANC-1 cells assessed as cell growth in... | 36332552 |
| A549 | IC50 | = | 4670.0 | nM | 5.33 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 36332552 |
| HCT-116 | IC50 | = | 12520.0 | nM | 4.9 | Antiproliferative activity against human HCT-116 cells assessed as cell growth i... | 36332552 |
| L02 | IC50 | = | 20550.0 | nM | 4.69 | Antiproliferative activity against human L02 cells assessed as cell growth inhib... | 36332552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332552 | 10.1016/j.ejmech.2022.114875 | A549 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | NCI-H1975 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | A-431 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | PANC-1 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | HCT-116 | 1 |
| 36332552 | 10.1016/j.ejmech.2022.114875 | L02 | 1 |
Data from ChEMBL 36 via Core Engine