Compound Detail
CHEMBL4635032
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Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(-c3ccccc3Cl)c12
Basic Information
| ChEMBL ID | CHEMBL4635032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYVQOEFNEJLRFL-MIGQKNRLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
376.8
MW (Da)
0.79
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.26
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CAPAN-1 | IC50 | = | 54900.0 | nM | 4.26 | Antiproliferative activity against human Capan1 cells assessed as reduction in c... | 32832030 |
| Z-138 | IC50 | = | 76100.0 | nM | 4.12 | Antiproliferative activity against human Z138 cells assessed as reduction in cel... | 32832030 |
| Unchecked | IC50 | = | 78500.0 | nM | 4.11 | Antiproliferative activity against human DND41 cells assessed as reduction in ce... | 32832030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832030 | 10.1021/acsmedchemlett.0c00269 | LN-229 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | CAPAN-1 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | HCT-116 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | NCI-H460 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | Unchecked | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | HL-60 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | K562 | 1 |
| 32832030 | 10.1021/acsmedchemlett.0c00269 | Z-138 | 1 |
Data from ChEMBL 36 via Core Engine