General
Preferred name
BETA-ALANINE
Synonyms
3-Aminopropanoic acid ()
2-Carboxyethylamine ()
??-Alanine ()
??Alanine ()
β-Alanine ()
¦Â-Alanine ()
beta-Alanine, 3-Aminopropanoic acid ()
β-alanine ()
3-Amino-Propionic Acid ()
P&D ID
PD007378
CAS
107-95-9
28854-76-4
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugMAP
DrugMatrix
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
89.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.58
TPSA
63.32
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Target
GABAR
Endogenous Metabolite
MOA
GABA Receptor
Source data
