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Compound Detail

CHEMBL3964985

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O=C(O)c1ccc(C2CCN(c3cc(OC(F)(F)F)ccc3F)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3964985
Phase Preclinical
Structure Type MOL
InChI Key FVEGBGXNQWDPFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
4.81
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.77
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 C19H17F4NO3
MW 383.34
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 4 4
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine