NECA

Basic Information

CAS ID: 35920-39-9
Molecular Formula: C12H16N6O4
Molecular Weight: 308.3 g/mol
Monoisotopic Mass: 308.1233 g/mol
Class: Small Molecule
Natural Product: No
Other Names: NECA | 5'-N-Ethylcarboxamidoadenosine
Analysis: Drug repositioning mechanism analysis

NH O O OH OH N N NH2 N N

Compound Structure and Identifier

InChI: InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 See All
InChI Key: JADDQZYHOWSFJD-FLNNQWSLSA-N
Smiles: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0117 Adenosine receptor A2b agonist

Related Fibrosis Property

Reference Record 1

PubMed ID 28344125 Target ID T0117
Uniprot ID Adenosine receptor A2b Name Adenosine receptor A2b
Model vitro,rat Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III
Mechanism

Related Link

PubChem: 448222
ChEMBL: CHEMBL464859