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Compound Detail

CHEMBL513677

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O=c1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c[nH]c(C(F)(F)F)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513677
Phase Preclinical
Structure Type MOL
InChI Key RLWZFSYVVDWNDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.2
MW (Da)
6.51
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H10BrF6NO3
MW 494.19
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
18396855 10.1021/jm0705760 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine