IBD Research Resource Center

BioID	bio2964
Name	TECALCET HYDROCHLORIDE
ChEMBL ID	CHEMBL2107572
Molecular Formula	C18H23Cl2NO
Molecular Weight	340.29
Molecular Weight (Monoisotopic)	303.139
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	KRN-568\|NPS R-568\|NPS-R-568\|NPSR-568\|Norcalin\|R-568\|TECALCET HCL\|TECALCET HYDROCHLORIDE
Smiles	COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.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
Inchi Key	YJXUXANREVNZLH-PFEQFJNWSA-N
Molecular Species	BASE
Targets	71.0
Bioactivities	1172.0
Np Likeness Score	-1.2
Records Key	['TECALCET HYDROCHLORIDE', 'TECALCET HYDROCHLORIDE', 'TECALCET', 'EUB0000408aCl', 'R-568', 'tecalcet', 'tecalcet', 'EUB0000408aCl', 'EUB0000408aCl', 'EUB0000408aCl', 'EUB0000408aCl', 'EUB0000408aCl']
Records Name	['TECALCET HYDROCHLORIDE', 'TECALCET HYDROCHLORIDE', 'TECALCET', 'TECALCET', '(R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl)propan-1-amine hydrochloride', 'tecalcet', 'tecalcet', 'TECALCET', 'TECALCET', 'TECALCET', 'TECALCET', 'TECALCET']
Withdrawn Flag	False
Orphan	0