Compound Detail
CHEMBL318627
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Basic Information
| ChEMBL ID | CHEMBL318627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCUOYNICLHHFX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
5.77
ALogP
4
HBA
3
HBD
77.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.16 | 6.15 | 690.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 690.0 | nM | 6.16 | In vitro inhibition of Pt resistant P388 (murine leukemia) cell growth. | 2231598 |
| P388 | IC50 | = | 720.0 | nM | 6.14 | In vitro inhibition of P388 (murine leukemia) cell growth. | 2231598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231598 | 10.1021/jm00173a015 | P388 | 4 |
Data from ChEMBL 36 via Core Engine