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Compound Detail

CHEMBL560557

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O=S(=O)(O)C(F)(F)F.On1cc/c(=N\c2cccc(CCc3ccccc3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560557
Phase Preclinical
Structure Type MOL
InChI Key PBNREWCRDNTZBS-UXJRWBAGSA-N
Parent Compound CHEMBL1197135
Active Moiety CHEMBL1197135
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
4.40
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClF3N2O4S
MW 474.89
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
19467600 10.1016/j.bmcl.2009.05.017 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine