General Information of the Compound
Compound ID
CP0912861
Compound Name
TECALCET HYDROCHLORIDE
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Synonyms
(R)-2-Chloro-N-(1-(3-methoxyphenyl)ethyl)benzenepropanamine
148717-54-8
3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine
8I16YLE4US
AC1L4KMU
BDBM50299670
BDBM50432960
Benzenepropanamine, 2-chloro-N-(1-(3-methoxyphenyl)ethyl)-, (R)-
CHEMBL292376
DTXSID90164084
GTPL718
KB-80823
LS-31029
NCGC00344508-01
NPS R 568
NPS R-568
NPS R568
NPS-R-568
R 568
R-568
SCHEMBL311950
Tecalcet
Tecalcet [INN]
UNII-8I16YLE4US
ZINC1538900
ZVQUCWXZCKWZBP-CQSZACIVSA-N
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Structure
Formula
C18H23Cl2NO
Molecular Weight
340.294
Canonical SMILES
COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl
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InChI
InChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1
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InChIKey
YJXUXANREVNZLH-PFEQFJNWSA-N
CAS
177172-49-5
Physicochemical Property
logP
5.0538
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 158796
SID: 14753659
ChEMBL ID
CHEMBL2107572
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: PT01916, Extracellular calcium-sensing receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 80 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( R-568 )
Drug Name R-568
Target(s)
Extracellular calcium-sensing receptor (CASR)
 Target Info 
Agonist