Compound Detail
CHEMBL1958235
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Basic Information
| ChEMBL ID | CHEMBL1958235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGNFUPWYQNYCNG-XDHOZWIPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.17
ALogP
4
HBA
2
HBD
78.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit CHEMBL1830 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleoside-diphosphate reductase large subunit | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL ... | 29253340 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as pol... | 22361685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22361685 | 10.1016/j.ejmech.2012.01.056 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 29253340 | 10.1021/acs.jmedchem.7b00530 | Ribonucleoside-diphosphate reductase large subunit | 1 |
| 29253340 | 10.1021/acs.jmedchem.7b00530 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine