ORM-12741   Click here for help

GtoPdb Ligand ID: 13129

Synonyms: DB105 | ORM 12741 | ORM12741
Compound class: Synthetic organic
Comment: ORM-12741 is a selective α2C-adrenoceptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 21.7
Molecular weight 285.38
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[C@@]1(CCCN2CCC3=C([C@H]12)OC4=C3C=CC=C4)COC
Isomeric SMILES C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC
InChI InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1
InChI Key OCUKPFWNSAAHRP-QZTJIDSGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,12bS)-1-(methoxymethyl)-1-methyl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin
Synonyms Click here for help
DB105 | ORM 12741 | ORM12741
Database Links Click here for help
ChEMBL Ligand CHEMBL4297312
DrugBank Ligand DB12057
GtoPdb PubChem SID 491299911
PubChem CID 71301276
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UniChem Compound Search for chemical match using the InChIKey OCUKPFWNSAAHRP-QZTJIDSGSA-N
UniChem Connectivity Search for chemical match using the InChIKey OCUKPFWNSAAHRP-QZTJIDSGSA-N