Compound Detail
CHEMBL365701
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Basic Information
| ChEMBL ID | CHEMBL365701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFKIDZDKVRLLAB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
1.23
ALogP
7
HBA
0
HBD
108.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.26 | 8.26 | 5.5 | 2 |
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5.5 | nM | 8.26 | Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5.5 | nM | 8.26 | Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... | - |
| Protein kinase Pfmrk | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Plasmodium falciparum cyclin-dependent kinase | 15481979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23360475 | 10.1021/np3007167 | Mycobacterium tuberculosis | 3 |
| 15481979 | 10.1021/jm040108f | Protein kinase Pfmrk | 1 |
| 23360475 | 10.1021/np3007167 | Vero | 1 |
Data from ChEMBL 36 via Core Engine