Compound Detail
CHEMBL22336
DOXANTRAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL22336 |
| Name | DOXANTRAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIDCTSLIEZMQRF-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
1.24
ALogP
6
HBA
1
HBD
105.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.47
IC50 1 meas. best 6.32
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 480.0 | nM | 6.32 | Antiallergic activity in rat peritoneal mast cells assessed as inhibition of ova... | 88523 |
| Serine/threonine-protein kinase Chk1 | Ki | = | 501.19 | nM | 6.3 | Inhibition of Chk1 | 19385614 |
| G-protein coupled receptor 35 | EC50 | = | 3400.0 | nM | 5.47 | Agonist activity at recombinant human N-terminal FLAG/eYFP-fused GPR35a expresse... | 29795753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 88523 | 10.1021/jm00192a027 | Rattus norvegicus | 5 |
| 7452677 | 10.1021/jm00185a023 | Rattus norvegicus | 3 |
| 7277397 | 10.1021/jm00139a021 | Rattus norvegicus | 2 |
| 7401122 | 10.1021/jm00182a030 | Rattus norvegicus | 2 |
| 9871602 | 10.1016/s0960-894x(98)00056-0 | Cavia porcellus | 2 |
| 423174 | 10.1021/jm00187a026 | Rattus norvegicus | 2 |
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] A | 1 |
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] B | 1 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
| 109613 | 10.1021/jm00193a013 | Rattus norvegicus | 1 |
| 88523 | 10.1021/jm00192a027 | NON-PROTEIN TARGET | 1 |
| 29795753 | 10.1021/acsmedchemlett.7b00510 | G-protein coupled receptor 35 | 1 |
Data from ChEMBL 36 via Core Engine