General
Preferred name
GR 159897
Synonyms
GR-159897 ()
GR159897 ()
P&D ID
PD016855
CAS
158848-32-9
Tags
available
drug candidate
Drug indication
Anxiety disorder
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 Non-peptide, potent NK2 antagonist (Tocriscreen Plus)
DESCRIPTION Non-peptide, potent NK2 antagonist (Tocriscreen Total)
DESCRIPTION GR 159897 is a potent and selective neurokinin NK2 receptor antagonist. GR 159897 competes for binding of [3H]GR100679 to hNK2-transfected CHO cells (pKi = 9.5). Study shows that GR 159897 inhibits NK2 receptor-mediated contraction of guinea pig trachea. (BOC Sciences Bioactive Compounds)
Compound Sets
14
Axon Medchem Screening Library
1119
BOC Sciences Bioactive Compounds
gr-159897-cas-158848-32-9-item-115108
Cayman Chemical Bioactives
32774
Concise Guide to Pharmacology 2017/18
2115
Concise Guide to Pharmacology 2019/20
2115
Concise Guide to Pharmacology 2021/22
2115
Concise Guide to Pharmacology 2023/24
2115
Drug Repurposing Hub
DrugMAP
DMLQ71Y
EUbOPEN Chemogenomics Library
EUB0000978
Guide to Pharmacology
2115
MedChem Express Bioactive Compound Library
HY-107691
Tocriscreen Plus
1274
Tocriscreen Total
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
414.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.14
TPSA
51.32
Fraction CSP3
0.39
Chiral centers
1.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Target
TAC1, TACR2
NK2 antagonist
Neurokinin Receptor
MOA
tachykinin antagonist
Pathway
GPCR/G protein
Neuronal Signaling
Recommended Cell Concentration
10 nM
Source data