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CHEBI:197393 - (1R,2R)-2-PCCA

Default Structure
ChEBI IDCHEBI:197393
ChEBI Name(1R,2R)-2-PCCA
Stars
Definition(1R,2R)-2-PCCA hydrochloride is a diastereomer of 2-PCCA, and acts as a potent GPR88 receptor agonist, with an EC50 of 3 nM in cell-free assay, and 603 nM in cell assay.
Last Modified4 October 2023
Submittersbalu
DownloadsMolfile
FormulaC30H37N3O.2HCl
Net Charge0
Average Mass528.568
Monoisotopic Mass527.24702
SMILESCCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.Cl.Cl
InChIInChI=1S/C30H37N3O.2ClH/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29;;/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3;2*1H/t21-,26+,27+,28+;;/m0../s1
InChIKeyZRMICUFWAJDIQJ-QUDNCWCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R)-2-PCCA (CHEBI:197393) is a organic molecular entity (CHEBI:50860)
Synonym  Source
2-PCCASUBMITTER
Registry NumbersSources
CAS:1609563-71-4SUBMITTER
Citations