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Compound Detail

CHEMBL4168316

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

Basic Information

ChEMBL ID CHEMBL4168316
Phase Preclinical
Structure Type MOL
InChI Key ABPZRSRVFLRTDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

513.5
MW (Da)
4.62
ALogP
7
HBA
1
HBD
90.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26F3NO6S
MW 513.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.26

Literature References

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

Data from ChEMBL 36 via Core Engine