General
Preferred name
TIMONACIC
Synonyms
1,3-Thiazolidine-4-carboxylic acid ()
Thiazolidine-4-carboxylic acid ()
Detoxepa ()
Hepalidine ()
THIOPROLINE ()
Thiazolidine-4-carboxylic acid, Detoxepa, Hepalidine, 1,3-Thiazolidine-4-carboxylic acid ()
Norgamen ()
Hepacom ()
NSC-25855 ()
P&D ID
PD001001
CAS
444-27-9
19291-02-2
625084-39-1
Tags
natural product
drug
available
Drug Status
investigational
approved
withdrawn
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
12
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
133.02
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-0.27
TPSA
49.33
Fraction CSP3
0.75
Chiral centers
1.0
Largest ring
5.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Target
Annexin A5
ATC
V
Toxicity type
multiple
Source data
