Compound Detail
CHEMBL4102966
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N#CC1(NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cnn(-c3ccc(F)cc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL4102966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCDYJABGKTXFJO-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.9
MW (Da)
2.57
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhodesain CHEMBL4188 | Ki | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhodesain | Ki | = | 7.4 | nM | 8.13 | Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as ... | 29590751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29590751 | 10.1021/acs.jmedchem.7b01870 | Rhodesain | 1 |
| 29590751 | 10.1021/acs.jmedchem.7b01870 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine