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Compound Detail

CHEMBL434188

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O=C(Nc1nc(C#Cc2cccnc2)cs1)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434188
Phase Preclinical
Structure Type MOL
InChI Key FMZDCCDDGYJQFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.86
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10F2N4OS
MW 356.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.43

Literature References

PubMed DOI Target Context # Activities
16451073 10.1021/jm050570f Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine