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Compound Detail

CHEMBL1915560

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COc1cc(N(Cc2ccccc2)c2nc(C)c(Cc3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915560
Phase Preclinical
Structure Type MOL
InChI Key IJCMEVCTKCCZMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

515.1
MW (Da)
7.54
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27ClN4OS
MW 515.08
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.34

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

Data from ChEMBL 36 via Core Engine