TAURINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1EQV5MLY3D

Structure
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Smile NCCS(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7NO3S
Molecular Weight 125.15
AlogP -1.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 80.39
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 3.739
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.72--0.93
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
10000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC36 family of proton-coupled amino acid transporters
- - - 7800000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Xerostomia 3 D014987 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Mental Disorders 2 D001523 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Homocystinuria 1 D006712 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 107-35-7
ChEBI 15891
ChEMBL CHEMBL239243
DrugBank DB01956
DrugCentral 4486
EPA CompTox DTXSID3021304
FDA SRS 1EQV5MLY3D
Human Metabolome Database HMDB00251
Guide to Pharmacology 2379
KEGG C00245
PDB TAU
PubChem 1123
SureChEMBL SCHEMBL23068
ZINC ZINC000003809490
CONTENTS