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Compound Detail

CHEMBL3613632

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CC(C)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613632
Phase Preclinical
Structure Type MOL
InChI Key XWEFJGFRMURPJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.12
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F3N3O2
MW 419.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
26235950 10.1016/j.bmcl.2015.06.098 Transient receptor potential cation channel subfamily V member 4 2

Data from ChEMBL 36 via Core Engine