General Information of the Compound
Compound ID
CP0530766
Compound Name
(4R,5R)-5-(2-chlorophenyl)-4-[5-(2-phenylethynyl)pyridin-3-yl]-1,3-oxazolidin-2-one
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Synonyms
(4R,5R)-5-(2-Chlorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
(4R,5R)-5-(2-chlorophenyl)-4-[5-(2-phenylethynyl)pyridin-3-yl]-1,3-oxazolidin-2-one
1375752-78-5
2-Oxazolidinone, 5-(2-chlorophenyl)-4-(5-(2-phenylethynyl)-3-pyridinyl)-, (4R,5R)-
3I1803DK5Z
AKOS040756698
BDBM50536712
BMS-984923
BMS984923
CHEMBL4571075
CS-0087012
HY-122559
SCHEMBL4541143
UNII-3I1803DK5Z
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Structure
Formula
C22H15ClN2O2
Molecular Weight
374.827
Canonical SMILES
Clc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1
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InChI
InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
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InChIKey
IAYVUQJOKDFLAL-NHCUHLMSSA-N
CAS
1375752-78-5
Physicochemical Property
logP
4.657
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 69084898
ChEMBL ID
CHEMBL4571075
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: PT00854, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 > 3000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 0.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BMS-984923 )
Drug Name BMS-984923
Company Allyx Therapeutics
Indication
Alzheimer disease
Phase 1
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Modulator