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Compound Detail

CHEMBL4165534

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CN(C)S(=O)(=O)NC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCC2(CCNCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165534
Phase Preclinical
Structure Type MOL
InChI Key UPVZTZZCLFTRRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

605.7
MW (Da)
3.37
ALogP
8
HBA
2
HBD
131.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30F3N3O7S2
MW 605.66
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
29795754 10.1021/acsmedchemlett.7b00549 Blood 1
29795754 10.1021/acsmedchemlett.7b00549 Stromelysin-2 1
29795754 10.1021/acsmedchemlett.7b00549 Stromelysin-1 1

Data from ChEMBL 36 via Core Engine