GRL-0496   Click here for help

GtoPdb Ligand ID: 11173

Synonyms: ALP-POS-c59291d4-5 | compound 10 [PMID:18796354] | GRL0496
Compound class: Synthetic organic
Comment: This compound is an inhibitor of SARS coronavirus main proteases (a.k.a. 3CL protease). It was originally reported to inhibit Mpro from SARS-CoV [1], and was more recently identified through PostEra's COVID moonshot open science screen for inhibitors of SARS-CoV-2 Mpro.
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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 3
Topological polar surface area 54.98
Molecular weight 272.04
XLogP 3.05
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2
Isomeric SMILES Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2
InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5-chloropyridin-3-yl) 1H-indole-4-carboxylate
Synonyms Click here for help
ALP-POS-c59291d4-5 | compound 10 [PMID:18796354] | GRL0496
Database Links Click here for help
CAS Registry No. 1087243-14-8 (source: PubChem)
ChEBI CHEBI:149970
ChEMBL Ligand CHEMBL490820
GtoPdb PubChem SID 434122233
PubChem CID 25110701
Search Google for chemical match using the InChIKey BOSZJNSICHFHMA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BOSZJNSICHFHMA
UniChem Compound Search for chemical match using the InChIKey BOSZJNSICHFHMA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BOSZJNSICHFHMA-UHFFFAOYSA-N