Compound Detail
CHEMBL1716365
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Basic Information
| ChEMBL ID | CHEMBL1716365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRIUJVAXLMLKPY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.63
ALogP
5
HBA
4
HBD
129.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.34 | 5.34 | 4606.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.8 | 4.405 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 4606.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency vi... | 22361685 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 98000.0 | nM | 4.01 | 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 |
Data from ChEMBL 36 via Core Engine