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Compound Detail

CHEMBL5434243

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O=S(=O)(Nc1ccc(-c2cccnc2)cn1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434243
Phase Preclinical
Structure Type MOL
InChI Key KZHXYNDGWNGYFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.08
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12FN3O2S
MW 329.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
37708305 10.1021/acs.jmedchem.3c00784 G-protein coupled receptor 55 2
37708305 10.1021/acs.jmedchem.3c00784 Unchecked 1

Data from ChEMBL 36 via Core Engine