Compound Detail
CHEMBL3623012
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Basic Information
| ChEMBL ID | CHEMBL3623012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WORZSRYKTGYIKJ-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
2.42
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | EC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human MRC5 cells assessed as reduction in cell viability in... | 26418485 |
| Trypanosoma brucei brucei | EC50 | = | 41000.0 | nM | 4.39 | Antitrypanosomal activity against Trypanosoma brucei brucei BSF427 VSG118 bloods... | 26418485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Trypanosoma brucei brucei | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | MRC5 | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Liver | 1 |
Data from ChEMBL 36 via Core Engine