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Compound Detail

CHEMBL3261739

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COc1cc2[nH]c(C)c(-c3cnc(Oc4ccc(OC(F)(F)F)cc4)nc3)c(=O)c2cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261739
Phase Preclinical
Structure Type MOL
InChI Key YNRJXEHRKKDYJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.8
MW (Da)
5.65
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15ClF3N3O4
MW 477.83
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
24720377 10.1021/jm500147k Plasmodium falciparum 2
24720377 10.1021/jm500147k NON-PROTEIN TARGET 1
24720377 10.1021/jm500147k HepG2 1

Data from ChEMBL 36 via Core Engine