Compound Detail
CHEMBL65711
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Basic Information
| ChEMBL ID | CHEMBL65711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHQCNCKSWDXSJR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
0.41
ALogP
10
HBA
6
HBD
219.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 20.0 | nM | 7.7 | Ability to inhibit WI-L2 murine leukemia tumor cell growth in culture after 48 h... | 1992118 |
| L1210 | IC50 | = | 29.0 | nM | 7.54 | Ability to inhibit L1210 murine leukemia tumor cell growth in culture after 48 h... | 1992118 |
| Dihydrofolate reductase | IC50 | = | 88.0 | nM | 7.06 | Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphobl... | 1992118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992118 | 10.1021/jm00105a031 | Dihydrofolate reductase | 1 |
| 1992118 | 10.1021/jm00105a031 | NON-PROTEIN TARGET | 1 |
| 1992118 | 10.1021/jm00105a031 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine