Compound Detail
CHEMBL3929171
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 | CHEMBL3929171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDJFUMQNAWRXOP-IBGZPJMESA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
76.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Ki 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.26 | 5.26 | 5495.4 | 2 |
| Mus musculus CHEMBL375 | IC50 | 4.05 | 4.05 | 88100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Mip PPIase activity in Burkholderia pseudomallei using succinamide... | 27591009 |
| Unchecked | Ki | = | 5500.0 | nM | 5.26 | Tight binding inhibition of Mip PPIase activity in Burkholderia pseudomallei inc... | 27591009 |
| Unchecked | Ki | = | 5495.41 | nM | 5.26 | Tight binding inhibition of Mip PPIase activity in Burkholderia pseudomallei inc... | 27591009 |
| Mus musculus | IC50 | = | 88100.0 | nM | 4.05 | Cytotoxicity against mouse J774.1 cells assessed as decrease in cell viability a... | 27591009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27591009 | 10.1016/j.bmc.2016.08.025 | Unchecked | 5 |
| 27591009 | 10.1016/j.bmc.2016.08.025 | Outer membrane protein MIP | 2 |
| 27591009 | 10.1016/j.bmc.2016.08.025 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine