Taurine

Details

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Internal ID 5ed1ef9a-7a56-43b2-8254-d0ad62aca887
Taxonomy Organic acids and derivatives > Organic sulfonic acids and derivatives > Organosulfonic acids and derivatives > Organosulfonic acids
IUPAC Name 2-aminoethanesulfonic acid
SMILES (Canonical) C(CS(=O)(=O)O)N
SMILES (Isomeric) C(CS(=O)(=O)O)N
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Popularity 24,533 references in papers

Physical and Chemical Properties

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Molecular Formula C2H7NO3S
Molecular Weight 125.15 g/mol
Exact Mass 125.01466426 g/mol
Topological Polar Surface Area (TPSA) 88.80 Ų
XlogP -4.10

Synonyms

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2-aminoethanesulfonic acid
107-35-7
Ethanesulfonic acid, 2-amino-
tauphon
L-Taurine
2-Aminoethylsulfonic acid
2-Sulfoethylamine
O-Due
taufon
Aminoethanesulfonic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Taurine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1293237 P54132 Bloom syndrome protein 12.6 nM
12.6 nM
12.6 nM
Potency
Potency
Potency
via CMAUP
via CMAUP
via Super-PRED
CHEMBL3622 P33261 Cytochrome P450 2C19 39810.7 nM
Potency
via CMAUP
CHEMBL1293235 P02545 Prelamin-A/C 22387.2 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 90.21% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.59% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.95% 95.56%
CHEMBL1952 P04818 Thymidylate synthase 82.46% 93.53%
CHEMBL4581 P52732 Kinesin-like protein 1 80.26% 93.18%

Cross-Links

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PubChem 1123
NPASS NPC300059
ChEMBL CHEMBL239243
LOTUS LTS0101689
wikiData Q207051