General
Preferred name
SPERGUALIN
Synonyms
NKP 608 ()
AV-608 ()
NKP608 ()
Ls-74246 ()
Antibiotic bmg 162af2 ()
Antibiotic bmg-162af2 ()
P&D ID
PD012446
CAS
177707-12-9
Tags
available
drug candidate
Drug indication
Mood disorder
type 1 diabetes mellitus
Drug Status
investigational
Max Phase
2.0
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
NKP608 is a non-peptidic derivative of 4-aminopiperidine which acts as a selective, specific and potent antagonist at the neurokinin-1 (NK-1) receptor both in vitro(IC50=2.6 nM) and in vivo. ;IC50 value: 2.6 nM;Target: NK-1 receptor;In vitro, the binding of NKP608 to bovine retina was characterized by an IC50 of 2.6+/-0.4 nM, whereas the compound's affinity to other receptor binding sites, including NK-2 and NK-3, was much lower. Species differences in IC(50) values with NKP608 were less pronounced than with previously described NK-1 receptor antagonists, being 13+/-2 and 27+/-2 nM in gerbil midbrain and rat striatum, respectively. In vivo, using the hind foot thumping model in gerbils, NKP608 exhibited a potent NK-1 antagonistic activity following oral administration (ID(50)=0.23 mg/kg; 2 h pretreatment), supporting a central activity of NKP608. NKP608 may prove a useful anxiolytic compound.
PRICE
446
DESCRIPTION
NKP608 is a selective and highly effective neurokinin-1 (NK-1) receptor antagonist with anticancer and antianxiety activities, inhibiting the proliferation of human colorectal cancer cells through the Wnt signaling pathway.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
619.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
4
cLogP
7.57
TPSA
62.3
Fraction CSP3
0.26
Chiral centers
2.0
Largest ring
6.0
QED
0.23
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
TACR1
Bcl-2 Family
Cadherin
Caspase
cyclin G-associated kinase (GAK)
Neurokinin Receptor
VEGFR
Wnt
β-catenin
MOA
tachykinin antagonist
Pathway
Apoptosis
Cell Cycle/DNA Damage
cytoskeleton
GPCR/G protein
Neuronal Signaling
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Source data
