Compound Detail
CHEMBL1086430
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1086430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAQNNBWXJZUVSA-OMZNPZFGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
830.0
MW (Da)
-1.98
ALogP
10
HBA
10
HBD
327.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19715342 | 10.1021/jm900629w | Unchecked | 3 |
| 19715342 | 10.1021/jm900629w | Rhodesain | 3 |
| 19715342 | 10.1021/jm900629w | Cathepsin B | 2 |
| 19715342 | 10.1021/jm900629w | Trypanosoma brucei brucei | 1 |
| 19715342 | 10.1021/jm900629w | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine