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Compound Detail

CHEMBL1823415

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

Basic Information

ChEMBL ID CHEMBL1823415
Phase Preclinical
Structure Type MOL
InChI Key MQPKDDYKZBIVRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.9
MW (Da)
5.76
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClF3N2O3
MW 452.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
21824778 10.1016/j.bmcl.2011.07.044 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine