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Compound Detail

CHEMBL468344

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Cc1[nH]c(C(F)(F)F)c(Br)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468344
Phase Preclinical
Structure Type MOL
InChI Key HYWKIFHIJDINQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.2
MW (Da)
6.82
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.39
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12BrF6NO3
MW 508.21
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.46

Literature References

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

Data from ChEMBL 36 via Core Engine