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Compound Detail

CHEMBL4640683

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CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(-c4cccnc4)nc3c2)nn1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640683
Phase Preclinical
Structure Type MOL
InChI Key JMMQUPJZWAOYNO-AREMUKBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
5.90
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21F4N5O
MW 507.49
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.49

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