Compound Detail
CHEMBL31882
DEZAGUANINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL31882 |
| Name | DEZAGUANINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KXBCLNRMQPRVTP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
150.1
MW (Da)
-0.17
ALogP
3
HBA
3
HBD
87.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-4 CHEMBL614177 | IC50 | 5.43 | 5.33 | 3700.0 | 2 |
| Measles morbillivirus CHEMBL613738 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 3700.0 | nM | 5.43 | Compound was tested for inhibition of MOLT-4 cell growth using human lymphoblast... | 3093681 |
| Measles morbillivirus | IC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against Measles virus infected in African green monkey CV1 ce... | 26260336 |
| MOLT-4 | IC50 | = | 5900.0 | nM | 5.23 | Compound was tested for inhibition of MOLT-4 cell growth using human lymphoblast... | 3093681 |
| Purine nucleoside phosphorylase | IC50 | = | 77000.0 | nM | 4.11 | Compound was tested for inhibition of purine nucleoside phosphorylase using huma... | 3093681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6827548 | 10.1021/jm00356a034 | Mus musculus | 4 |
| 490540 | 10.1021/jm00194a014 | Sarcoma-180 | 4 |
| 490540 | 10.1021/jm00194a014 | Mus musculus | 4 |
| 722730 | 10.1021/jm00210a008 | KB | 2 |
| 6438321 | 10.1021/jm00378a037 | Vesicular stomatitis virus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 6438321 | 10.1021/jm00378a037 | Coxsackievirus | 2 |
| 722730 | 10.1021/jm00210a008 | Ehrlich | 2 |
| 3093681 | 10.1021/jm00160a040 | NON-PROTEIN TARGET | 2 |
| 3093681 | 10.1021/jm00160a040 | MOLT-4 | 2 |
| 722730 | 10.1021/jm00210a008 | Influenza B virus | 2 |
| 6438321 | 10.1021/jm00378a037 | CHO | 1 |
| 6092634 | 10.1021/jm00377a002 | ADMET | 1 |
| 6438321 | 10.1021/jm00378a037 | TF-1 | 1 |
| 6438321 | 10.1021/jm00378a037 | AA6 | 1 |
| 6438321 | 10.1021/jm00378a037 | Human alphaherpesvirus 1 | 1 |
| 6438321 | 10.1021/jm00378a037 | Sindbis virus | 1 |
| 6438321 | 10.1021/jm00378a037 | Human respirovirus 3 | 1 |
| 6438321 | 10.1021/jm00378a037 | Reovirus sp. | 1 |
| 6438321 | 10.1021/jm00378a037 | Measles morbillivirus | 1 |
Data from ChEMBL 36 via Core Engine