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Compound Detail

CHEMBL3815113

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FC(F)(F)c1ccc(CN2CCN(c3ccccc3)CC2c2ccccc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3815113
Phase Preclinical
Structure Type MOL
InChI Key MGAXXAQFWJEKCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.16
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F3N3
MW 397.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
26990539 10.1021/acs.jmedchem.5b02029 Oxysterols receptor LXR-alpha 2
26990539 10.1021/acs.jmedchem.5b02029 Oxysterols receptor LXR-beta 2

Data from ChEMBL 36 via Core Engine