General
Preferred name
BARUSIBAN
Synonyms
FE-200440 ()
P&D ID
PD058155
CAS
285571-64-4
Tags
drug candidate
Drug indication
Androgen deficiency
Drug Status
investigational
Max Phase
Phase 2
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
Barusiban (FE 200440) is an oxytocin receptor antagonist . It was developed by Ferring Pharmaceuticals as a tocolytic agent, to counteract oxytocin-induced myometrial contractions . Chemically it is a synthetic cyclic hexapeptide containing five unnatural amino acids and only one D-amino acid.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Molecular Weight
829.45
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
9
Rotatable Bonds
14
Ring Count
3
Aromatic Ring Count
2
cLogP
0.19
TPSA
270.94
Fraction CSP3
0.62
Chiral centers
8.0
Largest ring
20.0
QED
0.12
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
