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Compound Detail

CHEMBL4645156

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CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(S(C)(=O)=O)nc3c2)nn1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645156
Phase Preclinical
Structure Type MOL
InChI Key ZFGUMUUMFPJTHS-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
4.24
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F4N4O3S
MW 508.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
32173198 10.1016/j.bmcl.2020.127066 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine