TAN-67   Click here for help

GtoPdb Ligand ID: 9567

Synonyms: (-)-TAN-67 [1] | SB-205,607 | SB-213698
Compound class: Synthetic organic
Comment: TAN-67 is a potent and selective δ-opioid receptor agonist [1]. It is also an agonist of the orphan GPCR MRGPRX2 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 36.36
Molecular weight 344.19
XLogP 3.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC2(C(C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O
Isomeric SMILES CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O
InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
InChI Key LEPBHAAYNPPRRA-WMZHIEFXSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
Synonyms Click here for help
(-)-TAN-67 [1] | SB-205,607 | SB-213698
Database Links Click here for help
BindingDB Ligand 50290872
ChEMBL Ligand CHEMBL327745
GtoPdb PubChem SID 336446953
PubChem CID 9950038
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