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Compound Detail

CHEMBL4159507

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CCCN1CCC2(CC1)CCC(C(=O)NC(=O)NC)(S(=O)(=O)c1ccc(Oc3ccc(OC(F)(F)F)cc3)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159507
Phase Preclinical
Structure Type MOL
InChI Key MDQPJJIQZIQBRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

597.7
MW (Da)
5.02
ALogP
7
HBA
2
HBD
114.0
PSA (Ų)
0.44
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 C28H34F3N3O6S
MW 597.66
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.83

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