Compound Detail
CHEMBL90047
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Basic Information
| ChEMBL ID | CHEMBL90047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHBUBVYQZYQYAM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
2.78
ALogP
6
HBA
1
HBD
93.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| P388 CHEMBL389 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 32.0 | nM | 7.5 | Cytotoxicity measured on wild-type P388 murine leukemia cells | 1310119 |
| P388 | IC50 | = | 450.0 | nM | 6.35 | Inhibitory activity against mutant murine leukemia cell line P388/AMSA | 1310119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310119 | 10.1021/jm00080a009 | Unchecked | 2 |
| 1310119 | 10.1021/jm00080a009 | No relevant target | 1 |
| 1310119 | 10.1021/jm00080a009 | Nucleic Acid | 1 |
| 1310119 | 10.1021/jm00080a009 | NON-PROTEIN TARGET | 1 |
| 1310119 | 10.1021/jm00080a009 | P388 | 1 |
Data from ChEMBL 36 via Core Engine