Compound Detail
CHEMBL195004
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CC(C)(C)c1ccc(-c2nnc([C@H](OC/C=C/Br)[C@H](O)[C@@H](O)[C@@H](OC/C=C/Br)C(=O)N[C@H]3c4ccccc4C[C@H]3O)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL195004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZSCDYYUISYGX-WXMBWODASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
735.5
MW (Da)
4.79
ALogP
9
HBA
4
HBD
147.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162010 | 10.1021/jm050463l | Plasmepsin I | 1 |
| 16162010 | 10.1021/jm050463l | Plasmepsin II | 1 |
| 16162010 | 10.1021/jm050463l | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine