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Compound Detail

CHEMBL4094061

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CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(C#N)cc3)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094061
Phase Preclinical
Structure Type MOL
InChI Key NDSFVEBQEKXBII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.14
ALogP
4
HBA
0
HBD
70.4
PSA (Ų)
0.56
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 C25H22N2O3S
MW 430.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine