Compound Detail
CHEMBL3754495
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Basic Information
| ChEMBL ID | CHEMBL3754495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPXGUDNIUWUKCZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
2.46
ALogP
4
HBA
0
HBD
74.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... | 27025343 |
| Trypanosoma cruzi | IC50 | = | 2600.0 | nM | 5.58 | Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5... | 26750255 |
| Vero | IC50 | = | 15200.0 | nM | 4.82 | Cytotoxicity against African green monkey Vero cells after 48 hrs by MTT assay | 26750255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Mycobacterium tuberculosis | 18 |
| 27025343 | 10.1016/j.bmcl.2016.03.066 | J774 | 3 |
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Unchecked | 3 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Salmonella typhimurium | 2 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Trypanosoma cruzi | 2 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Vero | 1 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine