General
Preferred name
DH 97
Synonyms
DH97 ()
N-Pentanoyl 2-benzyltryptamine ()
P&D ID
PD016730
CAS
220339-00-4
343263-95-6
Tags
drug candidate
available
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 5-HT1B antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
MT2 receptor antagonist
(Tocriscreen Plus)
DESCRIPTION
MT2 receptor antagonist
(Tocriscreen Total)
DESCRIPTION
DH 97 is a potent MT2 melatonin receptor antagonist (pKi = 8.03) with 89- and 229-fold selectivity over MT1 and GPR50 (melatonin-related orphan receptor) respectively.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
334.2
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
4.61
TPSA
44.89
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
Melatonin Receptors
MOA
Antagonist
melatonin receptor antagonist
Target
MTNR1B
MT2 antagonist
Melatonin Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data
