Compound Detail
CHEMBL608901
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CCCCCCC(=O)NC1=NN(C)c2ncnc3c2c1cn3C1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL608901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLTSYFIBMUFIHW-OZLRJOHKSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
0.24
ALogP
10
HBA
4
HBD
145.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.96 | 4.73 | 11000.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| CEM-SS CHEMBL614548 | IC50 | 4.5 | 4.5 | 32000.0 | 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 | = | 35.0 | nM | 7.46 | Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells... | 10882373 |
| HFF | IC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against HCMV was determined by plaque reduction assay using H... | 10882373 |
| ADMET | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity measured as Inhibition of KB cell growth was assessed. | 10882373 |
| HFF | IC50 | = | 32000.0 | nM | 4.5 | Visual cytotoxicity was scored on uninfected HFF cells | 10882373 |
| CEM-SS | IC50 | = | 32000.0 | nM | 4.5 | Visual cytotoxicity was scored on CEM-SS cells | 10882373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882373 | 10.1021/jm990236h | CEM-SS | 3 |
| 10882373 | 10.1021/jm990236h | ADMET | 2 |
| 10882373 | 10.1021/jm990236h | HFF | 2 |
| 10882373 | 10.1021/jm990236h | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10882373 | 10.1021/jm990236h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine