SB-334867   Click here for help

GtoPdb Ligand ID: 1703

Synonyms: SB-334,867 | SB334867 | SB334867A
PDB Ligand
Compound class: Synthetic organic
Comment: SB‐334867 is a selective OX1R antagonist. Selective OX1R blockade is suggested as a pharmacological mechanism that offers clinical utility for the treatment of addiction or anxiety disorders [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 92.94
Molecular weight 319.11
XLogP 0.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C
Isomeric SMILES O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C
InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChI Key AKMNUCBQGHFICM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Synonyms Click here for help
SB-334,867 | SB334867 | SB334867A
Database Links Click here for help
CAS Registry No. 792173-99-0 (source: Scifinder)
ChEMBL Ligand CHEMBL291536
GtoPdb PubChem SID 135651005
PubChem CID 6604926
RCSB PDB Ligand NVK
Search Google for chemical match using the InChIKey AKMNUCBQGHFICM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AKMNUCBQGHFICM
Search UniChem for chemical match using the InChIKey AKMNUCBQGHFICM-UHFFFAOYSA-N
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Wikipedia SB-334,867

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Tocris
SB 334867
Cat. No. 1960