Bioactive Compound Details

BioIDbio1956
NameNAMODENOSON
ChEMBL IDCHEMBL431733
Molecular FormulaC18H18ClIN6O4
Molecular Weight544.74
Molecular Weight (Monoisotopic)544.0123
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCF-102|CF102|CHLORO-IB-MECA|CI-IB-MECA|CL-IB-MECA|NAMODENOSON
SmilesCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InchiInChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Inchi KeyIPSYPUKKXMNCNQ-PFHKOEEOSA-N
Molecular SpeciesNEUTRAL
Targets53.0
Bioactivities239.0
Np Likeness Score-0.35
Records Key['12', 'Cl-IB MECA', '1, Cl-IB-MECA', '20', '85', 'Chloro-IB-MECA', '2 CI-IB-MECA', '1, C1-IB-MECA', '1b (CI-IB-MECA)', '2a', '2-Cl-IB-MECA', 'Cl-IB-MECA', 'C1-IB-MECA', '3', '15, Cl-IB-MECA', '2, Cl-IB-MECA', '1b, Cl - IB-MECA', 'Cl-IBMECA', 'SID26752072', 'Cl-IB-MECA', '2, (cl-IB-MECA)', '2, CI-IB-MECA', 'Cl-IB-MECA', '5', '13', '3, Cl-IB-MECA', '2b', '11', 'CI-IBMECA', '1b, CI-IB-MECA', 'NAMODENOSON', 'CF102', '2-Cl-IB-MECA', '2', 'NAMODENOSON', '1b; Cl-IB-MECA', '55', 'NCGC00093766-01, Chloro-IB-MECA', 'CI-IBMECA', '6b, Cl-IB-MECA', 'SID56463287', 'Cl-IB-MECA', '2, Cl-IB-MECA', 'Cl-IB-MECA', 'CF102', 'Cl-IB-MECA', '2', 'CI-IB-MECA', 'CF102', '38; Cl-IBMECA', '2-Cl-IB-MECA', '31; 2Cl-IBMECA', '2; Cl-IB-MECA', '1b', '1b', 'CF102', 'COVC-1208655332', '2; Cl-IB-MECA 2, CF102', '1b; C1-IB-MECA', '4', 'CI-IB-MECA', '1a']
Records Name['5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '(2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide', '(2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide', '(2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide', '(2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide', '5-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide', '(2S,3S,4R,5R)-5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', 2-chloro-N6-(3-iodobenzyl)-adenosine-5'-N-methylcarboxamide", '(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide', "2-chloro-N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine", '(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide', 'SID26752072', '(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide', "2-chloro-N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine", '(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide', '(3R,4S,5R)-5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide', '5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid me
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure