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Compound Detail

CHEMBL3963680

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COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cccs3)cn2)CC(C)(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3963680
Phase Preclinical
Structure Type MOL
InChI Key OLEGLINUJBOQIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

673.8
MW (Da)
11.05
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H37F6N3OS
MW 673.77
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
27490022 10.1016/j.ejmech.2016.07.065 Cholesteryl ester transfer protein 1

Data from ChEMBL 36 via Core Engine