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Compound Detail

CHEMBL2113991

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

Basic Information

ChEMBL ID CHEMBL2113991
Phase Preclinical
Structure Type MOL
InChI Key JSMYECUHSRLQOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.28
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.79
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 C18H21FN2O2
MW 316.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.05

Literature References

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

Data from ChEMBL 36 via Core Engine