General
Preferred name
H-Ile-Trp-OH
Synonyms
IW-2143 ()
BNC-210 ()
Ile-Trp ()
H-Ile-Trp-OH, IW-2143 ()
BNC210 ()
P&D ID
PD127601
CAS
13589-06-5
Tags
available
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 H-Ile-Trp-OH (Ile-Trp), a dipeptide, is an angiotensin-converting enzyme (ACE) inhibitor with an IC50 of 0.7 ¦ÌM. H-Ile-Trp-OH inhibits predominantly the C-domain of ACE[1].
DESCRIPTION BNC210 (IW-2143) is a α7 nAChR negative allosteric modulator. BNC210 has potent activity in animal models of anxiety and depression. (TargetMol Bioactive Compound Library)
Compound Sets
4
MedChem Express Bioactive Compound Library
HY-105858
ReFrame library
Selleckchem Bioactive Compound Library
bnc210
TargetMol Bioactive Compound Library
T8318
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
317.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
1.65
TPSA
108.21
Fraction CSP3
0.41
Chiral centers
3.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
nAChR
α7 nAChR
AChR
Angiotensin-converting Enzyme (ACE)
Pathway
Neuroscience
Metabolic Enzyme/Protease
Source data