Compound Detail
CHEMBL4632522
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CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2cc(OC(F)(F)F)ccc2[n+]1C.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL4632522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYZBTVGKTVTCEW-DHFPWTGPSA-M |
| Parent Compound | CHEMBL4651067 |
| Active Moiety | CHEMBL4651067 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
4.56
ALogP
7
HBA
0
HBD
38.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761725 | 10.1016/j.bmc.2019.115187 | Leishmania orientalis | 5 |
| 31761725 | 10.1016/j.bmc.2019.115187 | Leishmania martiniquensis | 3 |
| 31761725 | 10.1016/j.bmc.2019.115187 | J774.A1 | 2 |
Data from ChEMBL 36 via Core Engine