ogerin   

GtoPdb Ligand ID: 9155

Synonyms: ZINC67740571
Compound class: Synthetic organic
Comment: In March 2016 ogerin was reported and named as a selective GPR68 positive allosteric modulator (PAM) [1]. It binds to the same allosteric binding site on GPR68 as lorazepam. Ogerin potentiates proton activity in GPR68-mediated Gs-cAMP production via increasing both proton affinity (α-cooperativity) and efficacy (β-cooperativity).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 96.95
Molecular weight 307.14
XLogP 2.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N
Isomeric SMILES OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N
InChI InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChI Key MDGIEDNDSFMSLP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
Synonyms
ZINC67740571
Database Links
GtoPdb PubChem SID 374883820
PubChem CID 56707820
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Tocris
Ogerin
Cat. No. 5722