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Compound Detail

CHEMBL508941

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Nc1nnc(SCc2ccc(F)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508941
Phase Preclinical
Structure Type MOL
InChI Key OPAKWVMMTCNRJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
2.55
ALogP
5
HBA
1
HBD
51.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8FN3S2
MW 241.32
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.78

Literature References

PubMed DOI Target Context # Activities
31420255 10.1016/j.bmc.2019.115043 Sortase A 3
19271755 10.1021/jm801503n Unchecked 2

Data from ChEMBL 36 via Core Engine