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Compound Detail

CHEMBL2113990

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Cc1cc(C(=O)CCC(=O)O)c(C)n1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113990
Phase Preclinical
Structure Type MOL
InChI Key GNRWSIUEZUQINP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.28
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16FNO3
MW 289.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL2113921 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine