Details of the Drug

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
ChEBI ID
CHEMBL2107572
CAS Number
177172-49-5
TTD ID
D03XIS
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.