Compound Detail
CHEMBL1097929
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1097929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVGRUDOWSBQSR-AWNIVKPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.80
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.89 | 4.89 | 12830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 12830.0 | nM | 4.89 | Antiproliferative activity against human HT-29 cells after 72 hrs by sulforhodam... | 20353152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20353152 | 10.1021/jm9014394 | HeLa | 1 |
| 20353152 | 10.1021/jm9014394 | SGC-7901 | 1 |
| 20353152 | 10.1021/jm9014394 | HL-60 | 1 |
| 20353152 | 10.1021/jm9014394 | HT-29 | 1 |
| 20353152 | 10.1021/jm9014394 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine