Compound Detail
CHEMBL4538725
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Basic Information
| ChEMBL ID | CHEMBL4538725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVGPBBKJLDHSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.04
ALogP
9
HBA
1
HBD
93.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 158.49 | nM | 6.8 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31846577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31846577 | 10.1021/acs.jmedchem.9b01741 | ADMET | 3 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | No relevant target | 2 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Trypanosoma brucei brucei | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | MRC5 | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | CDK2/Cyclin A2 | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | CDK4/Cyclin D3 | 1 |
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine