Compound Detail
CHEMBL85661
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Basic Information
| ChEMBL ID | CHEMBL85661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJHGKPUNGDQGHG-LFYBBSHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.12
ALogP
4
HBA
3
HBD
89.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Ribonucleoside-diphosphate reductase subunit M2 CHEMBL1954 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2100.0 | nM | 5.68 | Compound was tested for inhibition of L1210 cells growth in culture. | 8691457 |
| Ribonucleoside-diphosphate reductase subunit M2 | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against CDP reductase. | 8691457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691457 | 10.1021/jm9600454 | Mus musculus | 4 |
| 8691457 | 10.1021/jm9600454 | Ribonucleoside-diphosphate reductase subunit M2 | 1 |
| 8691457 | 10.1021/jm9600454 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine