Compound Detail
CHEMBL1429861
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Basic Information
| ChEMBL ID | CHEMBL1429861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPOMVXDVZNBBAD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.79
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2562.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.16 | 5.16 | 6957.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.05 | 5.05 | 8801.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1700.0 | nM | 5.77 | Antitrypanosomal activity against intracellular Trypanosoma cruzi infected in hu... | 36607408 |
| Unchecked | IC50 | = | 2562.0 | nM | 5.59 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Zinc finger protein mex-5 | EC50 | = | 6957.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 8801.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36607408 | 10.1021/acs.jmedchem.2c00775 | Trypanosoma cruzi | 1 |
| 36607408 | 10.1021/acs.jmedchem.2c00775 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine