Compound Detail
CHEMBL196083
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Basic Information
| ChEMBL ID | CHEMBL196083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLGXFOAEZHVLIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.06
ALogP
6
HBA
2
HBD
106.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 73000.0 | nM | 4.14 | Cytotoxic effect against human colon carcinoma cell line (HT-29) | 16250643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250643 | 10.1021/jm058013g | Unchecked | 1 |
| 16250643 | 10.1021/jm058013g | HT-29 | 1 |
| 16250643 | 10.1021/jm058013g | HeLa | 1 |
| 16250643 | 10.1021/jm058013g | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine