General
Preferred name
BOSENTAN
Synonyms
Ro 47-0203 ()
BENZENESULFONAMIDE ()
Actelion ()
Bosentan Hydrate ()
BOSENTAN ANHYDROUS ()
Bosentan (hydrate) ()
Ro-470203029 ()
Bosentan monohydrate ()
Anhydrous bosentan ()
Tracleer ()
Bosentan hydrate ()
RO 47-0203/029 ()
Ro-47-0203-029 ()
Bosentan-d4 ()
P&D ID
PD009964
CAS
157212-55-0
147536-97-8
1174918-31-0
1065472-77-6
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
2001
Drug Status
investigational
approved
Drug indication
Antagonist (endothelin receptor)
Pulmonary arterial hypertension
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
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 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 Potent prokineticin (PK) 1 and 2 receptor antagonist; antitumor; BBB penetrant (Tocris Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
33
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
Drug Repurposing Hub
DrugBank
DB00559
DrugBank Approved Drugs
DB00559
DrugCentral
392
DrugCentral Approved Drugs
392
DrugMAP
DMIOGBU
DrugMAP Approved Drugs
DMIOGBU
DrugMatrix
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
61
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
ET-A , ET-B
ET-A
ET-B
EDNRA, EDNRB
Endothelin Receptor
Pathway
GPCR/G protein
Primary Target
Non-selective Endothelin
Member status
member
Indication
pulmonary arterial hypertension (PAH)
Therapeutic Class
Antihypertensive Agents
Source data