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Compound Detail

CHEMBL44769

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CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)O)c-2cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44769
Phase Preclinical
Structure Type MOL
InChI Key MTPCERKXCLHZCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.0
MW (Da)
3.86
ALogP
4
HBA
3
HBD
112.6
PSA (Ų)
0.46
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 C23H23ClN2O5S
MW 474.97
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -1.19

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