Compound Detail
CHEMBL427917
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Basic Information
| ChEMBL ID | CHEMBL427917 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MPOROIRTTIWCOX-MMLPPSPCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
997.2
MW (Da)
-2.45
ALogP
13
HBA
13
HBD
399.8
PSA (Ų)
0.04
QED
3
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL1830 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 11300.0 | nM | 4.95 | Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein bindi... | 1310120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310120 | 10.1021/jm00080a021 | Ribonucleoside-diphosphate reductase large subunit | 2 |
Data from ChEMBL 36 via Core Engine