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Compound Detail

CHEMBL2179641

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O=C1c2ccc(OCc3cccc(-c4ccc(C(F)(F)F)cc4F)c3)cc2CN1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179641
Phase Preclinical
Structure Type MOL
InChI Key MMKAUFHFUMQJQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
6.99
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23F4NO2
MW 469.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
23009245 10.1021/jm3005306 Metabotropic glutamate receptor 2 2
23009245 10.1021/jm3005306 Liver microsomes 1
23009245 10.1021/jm3005306 Plasma 1
23009245 10.1021/jm3005306 ADMET 1

Data from ChEMBL 36 via Core Engine