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Compound Detail

CHEMBL1172475

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Cc1ccc(-n2cc(CSc3ccc(OCC(=O)O)c(C)c3)nn2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172475
Phase Preclinical
Structure Type MOL
InChI Key DQULYXPMOGOCGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.78
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18FN3O3S
MW 387.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.19

Literature References

PubMed DOI Target Context # Activities
20403648 10.1016/j.ejmech.2010.03.035 Unchecked 1

Data from ChEMBL 36 via Core Engine