General
Preferred name
BOSENTAN
Synonyms
Bosentan Hydrate ()
BENZENESULFONAMIDE ()
Actelion ()
Ro 47-0203 ()
BOSENTAN ANHYDROUS ()
Bosentan (hydrate) ()
Bosentan-d4 ()
RO-47-0203/029 ()
Stayveer ()
Bosentan hydrate ()
Ro-47-0203-029 ()
Anhydrous bosentan ()
Ro-470203029 ()
RO 47-0203/029 ()
Bosentan monohydrate ()
Bosentan (as monohydrate) ()
Tracleer ()
P&D ID
PD009964
CAS
147536-97-8
157212-55-0
1174918-31-0
1065472-77-6
Tags
available
drug
Approved by
EMA
FDA
First approval
2001
Drug indication
Pulmonary arterial hypertension
Drug Status
approved
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Bosentan hydrate is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
PRICE 29
MOA Endothelin-1 (ET-1) is a neurohormone, the effects of which are mediated by binding to ETA and ETB receptors in the endothelium and vascular smooth muscle. It displays a slightly higher affinity towards ETA receptors than ETB receptors. ET-1 concentrations are elevated in plasma and lung tissue of patients with pulmonary arterial hypertension, suggesting a pathogenic role for ET-1 in this disease. Bosentan is a specific and competitive antagonist at endothelin receptor types ETA and ETB.
DESCRIPTION Bosentan is an endothelin receptor antagonist. (GtoPdb)
DESCRIPTION Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
PRICE 33
DESCRIPTION Bosentan inhibits the presser response to big ET-1 both after i.v. and oral administration, with a long duration of action and no intrinsic agonist activity. (BOC Sciences Bioactive Compounds)
DESCRIPTION Bosentan hydrate (Ro 47-0203) is a competitive and dual antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. (TargetMol Bioactive Compound Library)
DESCRIPTION Potent prokineticin (PK) 1 and 2 receptor antagonist; antitumor; BBB penetrant (Tocris Bioactive Compound Library)
DESCRIPTION Bosentan is a competitive and dual antagonist of endothelin-1. It is used in the treatment of pulmonary arterial hypertension, to improve exercise ability and to decrease the rate of clinical worsening. (Enamine Bioactive Compounds)
DESCRIPTION Bosentan (Benzenesulfonamide) is a sulfonamide-derived, competitive and specific endothelin receptor antagonist with a slightly higher affinity for the endothelin A receptor than endothelin B receptor. Bosentan blocks the action of endothelin 1, an extremely potent endogenous vasoconstrictor and bronchoconstrictor, by binding to endothelin A and endothelin B receptors in the endothelium and vascular smooth muscle. Bosentan decreases both pulmonary and systemic vascular resistance and is particularly used in the treatment of pulmonary arterial hypertension. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
35
AdooQ Bioactive Compound Library
A11091
BOC Sciences Bioactive Compounds
bosentan-hydrate-cas-157212-55-0-item-84-332756
Cayman Chemical Bioactives
11731
22097
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL957
ChEMBL Drugs
CHEMBL957
Concise Guide to Pharmacology 2017/18
3494
Concise Guide to Pharmacology 2019/20
3494
Concise Guide to Pharmacology 2021/22
3494
Concise Guide to Pharmacology 2023/24
3494
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB00559
DrugBank Approved Drugs
DB00559
DrugCentral
392
DrugCentral Approved Drugs
392
DrugMAP
DMIOGBU
DrugMAP Approved Drugs
DMIOGBU
DrugMatrix
Enamine Bioactive Compounds
EBC-06096
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100781
Guide to Pharmacology
3494
Ki Database
BOSENTAN
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL957
MedChem Express Bioactive Compound Library
HY-A0013A
HY-A0013
NCATS Inxight Approved Drugs
XUL93R30K2
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
bosentan-hydrate
TargetMol Bioactive Compound Library
T6265
T6264
Tocris Bioactive Compound Library
6232
ZINC Tool Compounds
ZINC000001538857
External IDs
65
Properties
(calculated by RDKit )
Molecular Weight
551.18
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
4
cLogP
4.2
TPSA
145.65
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Endothelin Receptor antagonist
Antagonist
Endothelin ETA Receptor Antagonists
Endothelin ETB Receptor Antagonists
Target
Endothelin receptor, ET-A/ET-B
Endothelin Receptor
ET-A
ET-B
EDNRA, EDNRB
Primary Target
Non-selective Endothelin
Member status
member
Indication
pulmonary arterial hypertension (PAH)
Therapeutic Class
Antihypertensive Agents
Pathway
GPCR/G protein
Source data