General
Preferred name
Bosentan Hydrate
Synonyms
Ro 47-0203 ()
BENZENESULFONAMIDE ()
Actelion ()
Bosentan (hydrate) ()
P&D ID
PD010493
CAS
157212-55-0
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
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)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
BOC Sciences Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
569.19
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
4
cLogP
3.38
TPSA
177.15
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)
Pathway
GPCR/G protein
Target
ET-A , ET-B
Endothelin Receptor
Source data
