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Compound Detail

CHEMBL1915563

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COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3ccnc3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915563
Phase Preclinical
Structure Type MOL
InChI Key WVWJNRQKNPFRGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
5.51
ALogP
6
HBA
1
HBD
52.0
PSA (Ų)
0.46
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 C19H15BrN4OS
MW 427.33
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.18

Literature References

PubMed DOI Target Context # Activities
21924610 10.1016/j.bmcl.2011.08.060 Cytochrome P450 2D6 1
21924610 10.1016/j.bmcl.2011.08.060 Gamma-secretase 1
21924610 10.1016/j.bmcl.2011.08.060 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine