Compound Detail
CHEMBL3358138
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CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1)C(C)C)N(C)C.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3358138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOPSGKAXPIOCMM-KQRIYTONSA-N |
| Parent Compound | CHEMBL3558741 |
| Active Moiety | CHEMBL3558741 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
742.0
MW (Da)
3.05
ALogP
7
HBA
6
HBD
177.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25412465 | 10.1021/jm501439w | Plasmodium falciparum | 2 |
| 25412465 | 10.1021/jm501439w | Unchecked | 1 |
| 25412465 | 10.1021/jm501439w | Falcipain 2 | 1 |
Data from ChEMBL 36 via Core Engine