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Compound Detail

CHEMBL65175

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O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)c2ccc(F)cc2)c1

Basic Information

ChEMBL ID CHEMBL65175
Phase Preclinical
Structure Type MOL
InChI Key PQKFOAMJGPGDQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.9
MW (Da)
4.25
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClFNO5S
MW 489.95
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.01

Activity Summary

Kd 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane A2 receptor
CHEMBL3156
Kd 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873486 10.1016/s0960-894x(98)00242-x Thromboxane A2 receptor 1

Data from ChEMBL 36 via Core Engine