Compound Detail
CHEMBL151955
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CC(C)Oc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL151955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOVNLCZMXFXJSM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
3.46
ALogP
6
HBA
2
HBD
107.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 7.0 | 6.2067 | 100.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 100.0 | nM | 7.0 | Concentration required to inhibit wild type RNA dependent DNA polymerase. | 8978855 |
| Nucleic Acid | IC50 | = | 1200.0 | nM | 5.92 | Concentration required to inhibit P236L type RNA dependent DNA polymerase. | 8978855 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1400.0 | nM | 5.85 | In vitro for inhibition of HIV-1 reverse transcriptase. | 8978855 |
| Nucleic Acid | IC50 | = | 2000.0 | nM | 5.7 | Concentration required to inhibit Y181C type RNA dependent DNA polymerase. | 8978855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978855 | 10.1021/jm960269m | Nucleic Acid | 3 |
| 8978855 | 10.1021/jm960269m | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 8978855 | 10.1021/jm960269m | ADMET | 2 |
| 8978855 | 10.1021/jm960269m | Human immunodeficiency virus 1 | 2 |
| 8978855 | 10.1021/jm960269m | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine