UCSF

ZINC00154897

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 No

Popular Name: 3-(2-thienyl)acrylic acid 3-(2-thienyl)acrylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1124-65-8 , 15690-25-2 , [1124-65-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 4.48 -50.31 0 2 -1 40 153.182 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
MP 141 - 143 Enamine Building Blocks
Melting_Point 145-148? Alfa-Aesar
Melting_Point 145-148° Alfa-Aesar
MP 146 TCI
melting_point 147 - 149 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-4-E HM74 Nicotinic Acid GPCR (cluster #4 Of 4), Eukaryotic Eukaryotes 5500 0.74 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 5500 0.74 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

Analogs ( Draw Identity 99% 90% 80% 70% )