Compound Detail
CHEMBL2313088
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2313088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNCUABMBRCMFAR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.1
MW (Da)
4.97
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Transmembrane protease serine 4 CHEMBL2331048 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 4000.0 | nM | 5.4 | Antileishmanial activity against Leishmania donovani amastigotes infected in J77... | 36565533 |
| ADMET | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against mouse macrophage cell line J774.1 (ATCC TIB-67) for 3 days ... | 23211970 |
| Transmembrane protease serine 4 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused ... | 23414802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36565533 | 10.1016/j.ejmech.2022.114996 | ADMET | 2 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | ADMET | 1 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | Mycobacterium tuberculosis | 1 |
| 23414802 | 10.1016/j.bmcl.2013.01.055 | Transmembrane protease serine 4 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Leishmania donovani | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | J774.A1 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Vero | 1 |
Data from ChEMBL 36 via Core Engine