Compound Detail
CHEMBL1863288
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Basic Information
| ChEMBL ID | CHEMBL1863288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKHRCSNSEGJWOV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
2.91
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.56 | 7.555 | 27.5 | 2 |
| Cytochrome P450 3A4/3A5 CHEMBL2111472 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.11 | 4.11 | 76850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 27.5 | nM | 7.56 | DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl... | - |
| Trypanosoma cruzi | IC50 | = | 28.0 | nM | 7.55 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen TcVI extracellular ... | 23462713 |
| Cytochrome P450 3A4/3A5 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testos... | 23462713 |
| L6 | IC50 | = | 76850.0 | nM | 4.11 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal muscle cells | - |
| L6 | IC50 | = | 77000.0 | nM | 4.11 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 23462713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1862790 | Trypanosoma cruzi | 2 |
| - | 10.6019/CHEMBL1862790 | L6 | 1 |
| 23462713 | 10.1016/j.bmc.2013.01.050 | Cytochrome P450 3A4/3A5 | 1 |
| 23462713 | 10.1016/j.bmc.2013.01.050 | No relevant target | 1 |
| 23462713 | 10.1016/j.bmc.2013.01.050 | Unchecked | 1 |
| 23462713 | 10.1016/j.bmc.2013.01.050 | L6 | 1 |
| 23462713 | 10.1016/j.bmc.2013.01.050 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine