Compound Detail
CHEMBL61780
TEZOSENTAN 🧪 Phase III
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🧪 Phase III
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO
Basic Information
| ChEMBL ID | CHEMBL61780 |
| Name | TEZOSENTAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | TUYWTLTWNJOZNY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
5
PK Parameters
8
Publications
5
Known Names
2
Indications
2
Mechanisms
Molecular Properties
605.6
MW (Da)
3.21
ALogP
13
HBA
3
HBD
200.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Endothelin receptor ET-A antagonist | ANTAGONIST | Endothelin-1 receptor | ✓ | ✓ |
| Endothelin receptor ET-B antagonist | ANTAGONIST | Endothelin receptor type B | ✓ | ✓ |
Indications
Heart Failure Hypertension, Pulmonary
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 7.75 | 7.695 | 18.0 | 2 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.1 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.0085 | - | Homo sapiens |
| MRT | 0.58 | hr | Homo sapiens |
| T1/2 | 0.13 | hr | Rattus norvegicus |
| T1/2 | 3.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 18.0 | nM | 7.75 | Displacement of 125I-ET1 from ETA receptor (unknown origin) expressed in CHO cel... | 27321813 |
| Endothelin receptor type B | IC50 | = | 21.0 | nM | 7.68 | Displacement of radioligand from ETB receptor in human placenta cell membranes | 27321813 |
| Endothelin-1 receptor | IC50 | = | 23.0 | nM | 7.64 | Displacement of [125I]ET-1 from Endothelin A receptor | 15055997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 15055997 | 10.1021/jm030528p | Rattus norvegicus | 2 |
| 15055997 | 10.1021/jm030528p | Endothelin-1 receptor | 1 |
| 15055997 | 10.1021/jm030528p | Endothelin receptor | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin receptor type B | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine