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Compound Detail

CHEMBL4162180

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CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(C)CC3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162180
Phase Preclinical
Structure Type MOL
InChI Key QVFHWMMQJBPSEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.30
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.69
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 C23H26N2O4S
MW 426.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.79

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