Compound Detail
CHEMBL186436
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Basic Information
| ChEMBL ID | CHEMBL186436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZUSOTZODKLCQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
0.81
ALogP
9
HBA
2
HBD
99.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 22.0 | nM | 7.66 | Cytotoxicity is determined as the concentration required to inhibit the growth o... | 15456268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456268 | 10.1021/jm049706k | Nucleic Acid | 3 |
| 15456268 | 10.1021/jm049706k | HT-29 | 1 |
| 15456268 | 10.1021/jm049706k | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine