General Information of Drug (ID: DM5NWPD)

Drug Name
R-568
Synonyms
Tecalcet; Tecalcet [INN]; NPS-R-568; UNII-8I16YLE4US; R 568; NPS R 568; NPS R-568; 148717-54-8; 8I16YLE4US; CHEMBL292376; (R)-2-Chloro-N-(1-(3-methoxyphenyl)ethyl)benzenepropanamine; Benzenepropanamine, 2-chloro-N-(1-(3-methoxyphenyl)ethyl)-, (R)-; 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine; AC1L4KMU; GTPL718; SCHEMBL311950; NPS R568; DTXSID90164084; ZVQUCWXZCKWZBP-CQSZACIVSA-N; ZINC1538900; BDBM50432960; BDBM50299670; NCGC00344508-01; LS-31029; KB-80823
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 340.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C18H23Cl2NO
IUPAC Name
3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine;hydrochloride
Canonical SMILES
C[C@H](C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl.Cl
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
InChIKey
YJXUXANREVNZLH-PFEQFJNWSA-N
Cross-matching ID
PubChem CID
158796
CAS Number
177172-49-5
TTD ID
D03XIS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Extracellular calcium-sensing receptor (CASR) TTBUYHA CASR_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Extracellular calcium-sensing receptor (CASR) DTT CASR 5.81E-02 -0.03 -0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Mixed-effects modeling of the pharmacodynamic response to the calcimimetic agent R-568. Clin Pharmacol Ther. 1999 Jan;65(1):40-9.