Compound Detail
CHEMBL167931
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Basic Information
| ChEMBL ID | CHEMBL167931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDKHYYDDDQAARQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.89
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against P388 cells is the dose giving 50% decrease in the formation... | 10206538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206538 | 10.1016/s0960-894x(99)00088-8 | P388 | 2 |
Data from ChEMBL 36 via Core Engine