General Information of the Compound
Compound ID
CP0423477
Compound Name
N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide
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Synonyms
BDBM50258139
GTPL6205
PMID16099654C3a
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Structure
Formula
C17H13N3O3
Molecular Weight
307.309
Canonical SMILES
Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)no1
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InChI
InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)
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InChIKey
KXBNLKGEYKHKAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.25432
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44573698
ChEMBL ID
CHEMBL492378
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 52 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 220 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID16099654C3a )
Drug Name PMID16099654C3a
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
Modulator (allosteric modulator)