Compound Detail
CHEMBL147069
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Basic Information
| ChEMBL ID | CHEMBL147069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSPSAXWXELZFQI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.91
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.35 | 5.225 | 4500.0 | 2 |
| Tyrosinase CHEMBL1973 | IC50 | 5.31 | 5.31 | 4930.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.12 | 5.12 | 7520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4500.0 | nM | 5.35 | Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer us... | 11844664 |
| Tyrosinase | IC50 | = | 4930.0 | nM | 5.31 | Inhibition of tyrosinase in Melan-a cells | 17693086 |
| No relevant target | IC50 | = | 7520.0 | nM | 5.12 | DPPH radical scavenging activity after 30 mins | 17693086 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-R... | 11844664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844664 | 10.1016/s0960-894x(01)00827-7 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | Tyrosinase | 1 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | ADMET | 1 |
| 17693086 | 10.1016/j.bmcl.2007.07.032 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine