Compound Detail
CHEMBL1935195
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 | CHEMBL1935195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFBFBPCSROURDV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.32
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.49 | 5.49 | 3210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 3210.0 | nM | 5.49 | Cytotoxicity against human HepG2/C3A cells after 24 hrs by neutral red uptake as... | 22182928 |
| ADMET | IC50 | = | 3210.0 | nM | 5.49 | Cytotoxicity against mouse J774A1 cells assessed as cell viability after 24 hrs ... | 24611928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Mycobacterium tuberculosis | 8 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | ADMET | 6 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Salmonella typhimurium | 4 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Unchecked | 1 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | J774 | 1 |
| 24611928 | 10.1021/jm401735w | Mycobacterium tuberculosis | 1 |
| 24611928 | 10.1021/jm401735w | ADMET | 1 |
| 24611928 | 10.1021/jm401735w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine