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Compound Detail

CHEMBL213756

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CNc1nccc(-c2ccc(C(=O)Nc3ccc(F)cc3)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213756
Phase Preclinical
Structure Type MOL
InChI Key SLGMKFVHOSMRMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.64
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN4OS
MW 328.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
16765046 10.1016/j.bmcl.2006.05.092 RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine