Compound Detail
CHEMBL2448735
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Basic Information
| ChEMBL ID | CHEMBL2448735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVHYOKKAMSUARF-UHFFFAOYSA-N |
3
Targets
11
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.65
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 10.0 | 9.588 | 0.1 | 5 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.66 | 4.46 | 21920.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 55.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.5333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 0.1 | nM | 10.0 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 0.15 | nM | 9.82 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 0.19 | nM | 9.72 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 0.58 | nM | 9.24 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 0.69 | nM | 9.16 | DNDI: Chagas in Vitro | - |
| Cytochrome P450 3A4 | IC50 | = | 1500.0 | nM | 5.82 | DNDI: Human CYP3A4 inhibition determined using 6b-hydroxylation of testosterone | - |
| L6 | IC50 | = | 21920.0 | nM | 4.66 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 26950.0 | nM | 4.57 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 33570.0 | nM | 4.47 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 49970.0 | nM | 4.3 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
| L6 | IC50 | = | 50060.0 | nM | 4.3 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2448688 | Trypanosoma cruzi | 13 |
| - | 10.6019/CHEMBL2448688 | L6 | 5 |
| - | 10.6019/CHEMBL2448688 | ADMET | 4 |
| - | 10.6019/CHEMBL2448688 | No relevant target | 4 |
| - | 10.6019/CHEMBL2448688 | Cytochrome P450 3A4 | 3 |
Data from ChEMBL 36 via Core Engine