Compound Detail
CHEMBL3238359
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Basic Information
| ChEMBL ID | CHEMBL3238359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDXGMBSBPBSYGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.25
ALogP
5
HBA
0
HBD
73.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.3 | 4.3 | 49760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 49760.0 | nM | 4.3 | Cytotoxicity against mouse J774A1 cells assessed as cell viability after 24 hrs ... | 24611928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24611928 | 10.1021/jm401735w | Mycobacterium tuberculosis | 10 |
| 24611928 | 10.1021/jm401735w | Salmonella typhimurium | 4 |
| 24611928 | 10.1021/jm401735w | Unchecked | 3 |
| 24611928 | 10.1021/jm401735w | ADMET | 2 |
| 24611928 | 10.1021/jm401735w | Mycobacterium tuberculosis variant bovis | 1 |
| 24611928 | 10.1021/jm401735w | Mycobacterium avium subsp. paratuberculosis | 1 |
| 24611928 | 10.1021/jm401735w | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine