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Compound Detail

CHEMBL4161498

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O=C(O)CC1COc2cc(OCc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)s3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161498
Phase Preclinical
Structure Type MOL
InChI Key MCWJCLUEFKRHJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
4.38
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN2O5S
MW 496.56
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
29705709 10.1016/j.ejmech.2018.04.023 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine