Compound Detail
CHEMBL86940
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Basic Information
| ChEMBL ID | CHEMBL86940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIYZJIUOYBOEJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.4
MW (Da)
0.17
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H157 CHEMBL614783 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Diamine acetyltransferase 1 CHEMBL4286 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H157 | IC50 | = | 1100.0 | nM | 5.96 | Activity against H157 non-SCLC cells in culture | 11141084 |
| Diamine acetyltransferase 1 | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory activity of compound against SSAT extracted from superinduced H157 ce... | 11141084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141084 | 10.1021/jm000084m | Trypanosoma brucei | 4 |
| 11141084 | 10.1021/jm000084m | NCI-H157 | 4 |
| 11141084 | 10.1021/jm000084m | Diamine acetyltransferase 1 | 2 |
| 11141084 | 10.1021/jm000084m | NCH82 | 1 |
| 11141084 | 10.1021/jm000084m | Ornithine decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine