Compound Detail
CHEMBL2448744
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2448744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGZPMOZVQYACMJ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.85
ALogP
5
HBA
1
HBD
72.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.88 | 4.88 | 13040.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.81 | 4.485 | 15430.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.g-1 | Mus musculus |
| CL | 27.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 50.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 4.117 | hr | Mus musculus |
| T1/2 | 1.06 | hr | Homo sapiens |
| T1/2 | 0.5833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 17.0 | nM | 7.77 | DNDI: Chagas in Vitro | - |
| Cytochrome P450 3A4 | IC50 | = | 13040.0 | nM | 4.88 | DNDI: Human CYP3A4 inhibition determined using 6b-hydroxylation of testosterone | - |
| L6 | IC50 | = | 15430.0 | nM | 4.81 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 22390.0 | nM | 4.65 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 58210.0 | nM | 4.24 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 57240.0 | nM | 4.24 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2448688 | ADMET | 11 |
| - | 10.6019/CHEMBL2448688 | L6 | 4 |
| - | 10.6019/CHEMBL2448688 | No relevant target | 4 |
| - | 10.6019/CHEMBL2448688 | Trypanosoma cruzi | 3 |
| - | 10.6019/CHEMBL2448688 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine