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Compound Detail

CHEMBL2107786

TERUTROBAN
🧪 Phase III
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🧪 Phase III
Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2

Basic Information

ChEMBL ID CHEMBL2107786
Name TERUTROBAN
Phase Phase III
Structure Type MOL
InChI Key HWEOXFSBSQIWSY-MRXNPFEDSA-N

Known Names

S18886 Terutroban Triplion
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Mechanisms

Molecular Properties

407.9
MW (Da)
3.50
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -troban

Extended Properties

Molecular Formula C20H22ClNO4S
MW 407.92
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.74

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thromboxane A2 receptor antagonist ANTAGONIST Thromboxane A2 receptor

Activity Summary

IC50 1 meas. best 7.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane A2 receptor
CHEMBL2069
IC50 7.79 7.79 16.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303300 HEK-293T 304
- 10.6019/CHEMBL5303300 U2OS 304
- 10.6019/CHEMBL5303300 Fibroblast 304
- 10.6019/CHEMBL5058564 HEK-293T 6
- 10.6019/CHEMBL5058564 Fibroblast 3
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 2
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 2
- 10.6019/CHEMBL5058564 U2OS 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 Apelin receptor 2

Data from ChEMBL 36 via Core Engine