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Compound Detail

CHEMBL481945

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CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Sc3ccccc3)c2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481945
Phase Preclinical
Structure Type MOL
InChI Key DWJGSBZNQYFYFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
6.15
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FN3S2
MW 393.51
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
18578517 10.1021/jm701529q Blood 2
18578517 10.1021/jm701529q Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine