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Compound Detail

CHEMBL2170942

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CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)C(Cc1ccccc1F)S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170942
Phase Preclinical
Structure Type MOL
InChI Key GJOKBHBAUQVYFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
3.70
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FN3O2S
MW 427.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
22813531 10.1021/jm300833h Glucose-6-phosphate 1-dehydrogenase 2

Data from ChEMBL 36 via Core Engine