Compound Detail
CHEMBL3237102
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Basic Information
| ChEMBL ID | CHEMBL3237102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTTQMDKBXWVIDE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
6.11
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.2 | 5.2 | 6250.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.58 | 4.58 | 26030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 6250.0 | nM | 5.2 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days... | 24631899 |
| ADMET | IC50 | = | 26030.0 | nM | 4.58 | Cytotoxicity against mouse J774A1 cells after 24 hrs by neutral red dye uptake a... | 24631899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24631899 | 10.1016/j.ejmech.2014.02.065 | Mycobacterium tuberculosis | 3 |
| 24631899 | 10.1016/j.ejmech.2014.02.065 | ADMET | 1 |
| 24631899 | 10.1016/j.ejmech.2014.02.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine