Compound Detail
CHEMBL5282250
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Basic Information
| ChEMBL ID | CHEMBL5282250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUSGGAWWVBQNLE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.97 | 4.97 | 10690.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.09 | 4.09 | 80500.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.05 | 4.05 | 88200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 10690.0 | nM | 4.97 | Anti-cancer activity against human HL-60 cells | 32711292 |
| MDA-MB-231 | IC50 | = | 80500.0 | nM | 4.09 | Cytotoxicity against human MDA-MB-231 cells assessed as cell viability incubated... | 32711292 |
| HT-29 | IC50 | = | 88200.0 | nM | 4.05 | Cytotoxicity against human HT-29 cells assessed as cell viability incubated for ... | 32711292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32711292 | 10.1016/j.ejmech.2020.112530 | HL-60 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | MDA-MB-231 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | HepG2 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | HT-29 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | Maltase-glucoamylase | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | Alpha amylase | 1 |
Data from ChEMBL 36 via Core Engine