Compound Detail
CHEMBL576255
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Basic Information
| ChEMBL ID | CHEMBL576255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWQNAGUCILAZKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
2.63
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.5 | - | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of HIV reverse transcriptase | 19748778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Liver microsomes | 2 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Unchecked | 1 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine