Compound Detail
CHEMBL87996
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Basic Information
| ChEMBL ID | CHEMBL87996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTRQQWTUQMYCCQ-VGOFMYFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.26
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase subunit M2 CHEMBL1954 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase subunit M2 | IC50 | = | 1700.0 | nM | 5.77 | 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