Compound Detail
CHEMBL1203827
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Basic Information
| ChEMBL ID | CHEMBL1203827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQLAITYEMYFMDO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL168333 |
| Active Moiety | CHEMBL168333 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.83
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 5.02 | 4.93 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 9500.0 | nM | 5.02 | In vitro cell growth inhibitory activity against wild type P388 murine leukemia ... | 2153829 |
| P388 | IC50 | = | 14400.0 | nM | 4.84 | In vitro cell growth inhibitory activity against amsacrine-resistant P388 cell l... | 2153829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153829 | 10.1021/jm00164a054 | P388 | 3 |
| 2153829 | 10.1021/jm00164a054 | Nucleic Acid | 1 |
| 2153829 | 10.1021/jm00164a054 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine