General
Preferred name
MANDELIC ACID
Synonyms
Ammonium mandelate ()
2-Hydroxy-2-phenylacetic acid ()
R-(?)-Mandelic Acid ()
D-(?)-Mandelic Acid ()
(±)-Mandelic acid ()
DL-Mandelic acid ()
NSC-7925 ()
Racemic mandelic acid ()
Paramandelic acid ()
P&D ID
PD013735
CAS
90-64-2
15769-78-5
17199-29-0
611-71-2
Tags
available
drug
Drug Status
approved
Max Phase
4.0
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 ]]
Cell lines
1
Organisms
0
Compound Sets
8
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
152.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.8
TPSA
57.53
Fraction CSP3
0.12
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)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Source data
