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Compound Detail

CHEMBL413055

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CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL413055
Phase Preclinical
Structure Type MOL
InChI Key OMSNLRUOTIMQAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.44
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO5S
MW 439.53
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80043-8 Thromboxane A2 receptor 1

Data from ChEMBL 36 via Core Engine