Compound Detail
CHEMBL137192
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Basic Information
| ChEMBL ID | CHEMBL137192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKDCDVNDPAZRSM-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
4.67
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.68 | 6.6067 | 210.0 | 3 |
| Cytochrome P450 3A4/3A5 CHEMBL2111472 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.22 | 4.2133 | 60040.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 210.0 | nM | 6.68 | DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl... | - |
| Trypanosoma cruzi | IC50 | = | 270.0 | nM | 6.57 | DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl... | - |
| Trypanosoma cruzi | IC50 | = | 270.0 | nM | 6.57 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Tulahuen ... | 22536986 |
| Cytochrome P450 3A4/3A5 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of CYP3A4/5 in human liver microsomes | 22536986 |
| L6 | IC50 | = | 60040.0 | nM | 4.22 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal muscle cells | - |
| L6 | IC50 | = | 61340.0 | nM | 4.21 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal muscle cells | - |
| L6 | IC50 | = | 61300.0 | nM | 4.21 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 22536986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1862790 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL1862790 | L6 | 2 |
| 2296032 | 10.1021/jm00163a065 | Aromatase | 1 |
| 22536986 | 10.1021/jm2015809 | Cytochrome P450 3A4/3A5 | 1 |
| 22536986 | 10.1021/jm2015809 | Trypanosoma cruzi | 1 |
| 22536986 | 10.1021/jm2015809 | No relevant target | 1 |
| 22536986 | 10.1021/jm2015809 | L6 | 1 |
Data from ChEMBL 36 via Core Engine