Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL281398

TERBOGREL
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CC(C)(C)N/C(=N\C#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281398
Name TERBOGREL
Phase Phase II
Structure Type MOL
InChI Key XUTLOCQNGLJNSA-RGVLZGJSSA-N

Known Names

BIBV 308 SE BIBV-308-SE BIBV-308SE Terbogrel
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
4
Known Names
1
Indications
2
Mechanisms

Molecular Properties

405.5
MW (Da)
4.41
ALogP
4
HBA
3
HBD
110.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -grel
USAN Year 1998

Extended Properties

Molecular Formula C23H27N5O2
MW 405.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.65

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thromboxane A2 receptor antagonist ANTAGONIST Thromboxane A2 receptor ✓ ✓
Thromboxane-A synthase inhibitor INHIBITOR Thromboxane-A synthase ✓ ✓

Indications

Hypertension, Pulmonary

Activity Summary

IC50 2 meas. best 8.4
EC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane-A synthase
CHEMBL1835
 IC50 8.4 8.4 4.0 1
Thromboxane A2 receptor
CHEMBL2069
 IC50 7.96 7.96 11.0 1
Homo sapiens
CHEMBL372
 EC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thromboxane-A synthase IC50 = 4.0 nM 8.4 In vitro activity on thromboxane A2 synthase inhibition in gel filtered human pl... 10197967
Thromboxane A2 receptor IC50 = 11.0 nM 7.96 In vitro activity on thromboxane A2 receptor antagonism in gel filtered human pl... 10197967
Homo sapiens EC50 = 310.0 nM 6.51 In vitro activity expressed as EC50 for inhibition of collagen induced platelet ... 10197967

Literature References

PubMed DOI Target Context # Activities
10197967 10.1021/jm9707941 Thromboxane A2 receptor 1
10197967 10.1021/jm9707941 Thromboxane-A synthase 1
10197967 10.1021/jm9707941 Homo sapiens 1

Data from ChEMBL 36 via Core Engine