Compound Detail
CHEMBL5572383
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Basic Information
| ChEMBL ID | CHEMBL5572383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USAAREVFZPXUMD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.99
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CAL-27 CHEMBL1075408 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CAL-27 | IC50 | = | 7000.0 | nM | 5.16 | Antiproliferative activity against human CAL-27 cells incubated for 48 hrs by XT... | 38894897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38894897 | 10.1021/acsmedchemlett.4c00053 | Unchecked | 3 |
| 38894897 | 10.1021/acsmedchemlett.4c00053 | A498 | 1 |
| 38894897 | 10.1021/acsmedchemlett.4c00053 | RCC4 | 1 |
| 38894897 | 10.1021/acsmedchemlett.4c00053 | 786-0 | 1 |
| 38894897 | 10.1021/acsmedchemlett.4c00053 | CAL-27 | 1 |
| 38894897 | 10.1021/acsmedchemlett.4c00053 | CAL-33 | 1 |
Data from ChEMBL 36 via Core Engine