General
Preferred name
phenylethanolamine
Synonyms
ML049 ()
2-Amino-1-phenylethanol ()
2-APE ()
P&D ID
PD016071
CAS
7568-93-6
1477-64-1
Tags
probe
natural product
drug
available
Drug Status
approved
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
Probe targets
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 The specific aim of this proposal is to optimize a duplex fluorescent ligand binding assay that integrates the two assays so as to enable simultaneous high throughput screening of both receptors. This assay will be submitted for use in screening of the Small Molecule Repository to detect compounds that selectively bind FPR and FPRL1. (MLP Probes)
Compound Sets
7
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
MLP Probes
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
137.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.68
TPSA
46.25
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
MOA
Endogenous Metabolite
Source data