General
Preferred name
PD047537
Synonyms
5-(NONYLOXY)-TRYPTAMINE HYDROGEN OXALATE ()
2-(5-Nonyloxy-1H-indol-3-yl)-ethylamine ()
5-Nonyloxytryptamine oxalate ()
5-(nonyloxy)-tryptamine ()
Nonyloxytryptamine (oxalate) ()
P&D ID
PD047537
CAS
157798-12-4
157798-13-5
Tags
drug candidate
natural product
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
5-Nonyloxytryptamine oxalate is a potent agonist of the serotonin (5-HT) receptor 5-HT1Dβ with an EC50 value of 68 nM for adenylate cyclase activity in CHOKM6 cells transfected with the human 5-HT1Dβ receptor. It is several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
6
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugMAP
DrugMatrix
Guide to Pharmacology
NIH Clinical Collections (NCC)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Molecular Weight
302.24
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
11
Ring Count
2
Aromatic Ring Count
2
cLogP
4.8
TPSA
51.04
Fraction CSP3
0.58
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Solubility
DMSO: 2 mg/mL, clear (warmed)
Source data
