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Compound Detail

CHEMBL3902108

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CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(CC(=O)O)Cc3ccsc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3902108
Phase Preclinical
Structure Type MOL
InChI Key QSRGNXFRGTYNNK-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.00
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO5S
MW 477.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
27994752 10.1021/acsmedchemlett.6b00331 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine