General
Preferred name
SHA 68
Synonyms
Oxazolo[3,4-a]pyrazine derivative 2 ()
SHA-68 ()
P&D ID
PD038334
CAS
847553-89-3
Tags
available
drug candidate
Drug indication
Discovery agent
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
Selective neuropeptide S receptor antagonist
(Tocriscreen Plus)
DESCRIPTION
Trace amine 1 (TA1) receptor antagonist; also displays inverse agonism
(Tocris Bioactive Compound Library)
DESCRIPTION
SHA 68 is a selective neuropeptide S receptor (NPSR) antagonist (IC50 = 22.0 and 23.8 nM for human NPSR Asn107 and Ile107 variants, respectively) that displays no activity against a range of 14 GPCRs, including vasopressin and oxytocin receptors.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
445.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
3
cLogP
4.12
TPSA
61.88
Fraction CSP3
0.23
Chiral centers
1.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
Neuropeptide S Receptors
MOA
Antagonist
Pathway
GPCR/G protein
Neuronal Signaling
Target
Neuropeptide Y Receptor
Source data
