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Compound Detail

CHEMBL4647710

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Cc1[nH]c(C(=O)N2CCCC2)cc1Cc1ccc(C(F)(F)F)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647710
Phase Preclinical
Structure Type MOL
InChI Key PXHVSVPSYHLOLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.56
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18F3N3O
MW 337.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
32248693 10.1021/acs.jmedchem.0c00311 Unchecked 2
32248693 10.1021/acs.jmedchem.0c00311 No relevant target 2
32248693 10.1021/acs.jmedchem.0c00311 ADMET 2
32248693 10.1021/acs.jmedchem.0c00311 Dihydroorotate dehydrogenase (quinone), mitochondrial 1
32248693 10.1021/acs.jmedchem.0c00311 Plasmodium falciparum 1
32248693 10.1021/acs.jmedchem.0c00311 Albumin 1

Data from ChEMBL 36 via Core Engine