Bioactive Compound Details

BioIDbio3039
NameLORATADINE
ChEMBL IDCHEMBL998
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89
Molecular Weight (Monoisotopic)382.1448
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALAVERT|BAY76-2211|CHILDREN'S CLARITIN|CLARITIN|CLARITIN HIVES RELIEF|CLARITIN HIVES RELIEF REDITAB|CLARITIN REDITABS|CLARITYN|CLARITYN RAPIDE|CLARITYNE|Claritin-D|HAY-RITE|LORATADINA|LORATADINE|LORATADINE REDIDOSE|NSC-758628|ROLETRA|SCH 29851|SCH-29851
SmilesCCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InchiInChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
Inchi KeyJCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets293.0
Bioactivities1775.0
Np Likeness Score-0.74
Records Key['loratadine', 'SID144203736', '4', 'Loratadine', '88 (loratidine)', '73 (desca_loratidine)', 'Loratadine', '73 (Loratidine)', '1 (LORATADINE)', 'Loratadine', '1', 'Loratidine', '13 (Loratadine)', 'Loratadine', 'SID56424146', 'Loratidine', '1b(loratadine)', '72, loratadine', 'SID124880597', 'Loratadine', '33, Loratadine', 'SID26747010', '13', 'loratadine', 'SID855843', 'loratidine', 'SID50104102', 'SID85231118', 'Loratadine', 'SID170464867', 'loratadine', 'LORATADINE', 'SID144211849', 'Loratadine', '43', 'Loratadine', 'NCGC00023125-04', 'SID11113345', 'Loratadine', '1', 'LORATADINE', 'BDBM22876', 'SID104171183', 'loratadine', 'SID26719690', 'SID535878', '1885', 'SID124880599', 'Loratadine', 'loratadine', 'LORATADINE', '1c', 'Loratadine', 'LORATADINE', '24', 'Loratadine', '4', 'LORATADINE', 'loratadine', 'Desc-loratadine', 'Loratadine', 'LORATADINE', 'Loratadine', 'LORATADINE', 'LORATADINE', 'Loratadine', 'COVC-2288693869', 'SID11111394', '9', 'Loratadine', 'Loratadine', 'SID26751528', 'Loratadine', 'LORATADINE', 'LORATADINE', 'SID90340694', 'Loratadine', '12, Table 4', 'loratadine', 'LORATADINE', '1', 'Loratadine', 'Loratadine', 'Loratadine', 'Loratadine', 'Loratadine', 'Loratadine', '8', 'BDBM22876', 'SAM001246987', 'LORATADINE', 'LORATADINE', '1', 'LORATADINE', 'loratadine', 'BA1001146']
Records Name['4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', 'SID144203736', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester (loratadine)', 'Loratadine', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', '4-(2-Chloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-piperidine-1-carboxylic acid ethyl ester (Loratadine)', 'Loratadine', 'SID56424146', 'Loratidine', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester (loratadine)', '4-(8-chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', 'SID124880597', 'Loratadine', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', 'SID26747010', 'Loratadine', 'loratadine', 'SID855843', '4-(2-Chloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-piperidine-1-carboxylic acid ethyl ester', 'SID50104102', 'SID85231118', 'Loratadine', 'SID170464867', '4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester', 'LORATADINE', 'SID144211849', 'Loratadine', 'Loratadine', 'Loratadine', 'Loratadine', 'SID11113345', 'Loratadine', 'Loratadine', 'LORATADINE', 'CHEMBL998::Claritin::Loratadine::Sch 29851::US9138431, LORATADINE (Claritin)::US9333199, LORATADINE (Claritin)::ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate', 'SID104171183', 'loratadine', 'SID26719690', 'SID535878', None, 'SID124880599', 'Loratadine', 'loratad
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure