Compound Detail
CHEMBL2024548
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CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(Cl)c2Cl)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL2024548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INURRJWVIAEJKK-PVRNWPCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
2.05
ALogP
3
HBA
3
HBD
94.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.52 | 7.52 | 29.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 29.9 | nM | 7.52 | Cytotoxicity against human HT-29 cells after 48 hrs using resazurin by microplat... | 22185476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22185476 | 10.1021/jm2009088 | Unchecked | 1 |
| 22185476 | 10.1021/jm2009088 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine