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Compound Detail

CHEMBL4169432

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O=C(O)CC(c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169432
Phase Preclinical
Structure Type MOL
InChI Key KSBFERQTCMDYFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
5.40
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.42
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 C28H29FN2O4S
MW 508.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.23

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