Compound Detail
CHEMBL3104532
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Basic Information
| ChEMBL ID | CHEMBL3104532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYGYILSFRDCTJT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
6.92
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.2 | 4.195 | 63820.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 92.8 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.3117 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 9.0 | nM | 8.05 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 6 amastigotes infec... | 24304150 |
| Trypanosoma cruzi | IC50 | = | 9.0 | nM | 8.05 | DNDI: Chagas in Vitro | - |
| L6 | IC50 | = | 63820.0 | nM | 4.2 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal musclE | - |
| L6 | IC50 | = | 64000.0 | nM | 4.19 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 24304150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3137440 | No relevant target | 4 |
| - | 10.6019/CHEMBL3137440 | ADMET | 3 |
| - | 10.6019/CHEMBL3137440 | Cytochrome P450 3A4 | 2 |
| - | 10.6019/CHEMBL3137440 | Trypanosoma cruzi | 2 |
| 24304150 | 10.1021/jm401610c | L6 | 1 |
| 24304150 | 10.1021/jm401610c | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3137440 | L6 | 1 |
Data from ChEMBL 36 via Core Engine