371546

Source:http://linkedlifedata.com/resource/chembl/compound/371546

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:371546_Adoxa_TRADE_NAME, synonym:371546_Doryx_TRADE_NAME, synonym:371546_Doxoral_TRADE_NAME, synonym:371546_Doxycycline_FDA_ALTERNATIVE_NAME, synonym:371546_Doxycycline_INN, synonym:371546_Doxyhexal_TRADE_NAME, synonym:371546_Doxylin_TRADE_NAME, synonym:371546_Liviatin_TRADE_NAME, synonym:371546_Microdox_TRADE_NAME, synonym:371546_Monodox_TRADE_NAME, synonym:371546_Oracea_TRADE_NAME, synonym:371546_Periostat_TRADE_NAME, synonym:371546_Vibramycin_TRADE_NAME, synonym:371546_Vibravenos_TRADE_NAME, synonym:371546_Vibrox_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
chemicalCompound:standardIn...	JBIWCJUYHHGXTC-AKNGSSGZSA-N
chemicalCompound:canonicalS...	C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O
chemicalCompound:molecularF...	C22H24N2O8
chemicalCompound:moleculeId	371546
chemicalCompound:mwFreebase	444.435
chemicalCompound:alogp	-0.751
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	181.61
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	1.777
chemicalCompound:acdLogD	-1.099
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	444.435
chemicalCompound:acdMostBpk...	10.84
chemicalCompound:chemblId	CHEMBL1433
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471546
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	DOXYCYCLINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50845
chemicalCompound:firstAppro...	2003
chemicalCompound:activity	activity:40934, activity:376729, activity:376730, activity:376731, activity:376732, activity:376733, activity:376734, activity:376735, activity:401522, activity:401523, activity:401524, activity:401525, activity:401526, activity:401527, activity:401528, activity:401529, activity:401530, activity:401531, activity:425566, activity:825481, activity:825482, activity:825483, activity:825484, activity:825485, activity:825486, activity:825487, activity:825488, activity:825489, activity:825490, activity:825491, activity:1077934, activity:1109377, activity:1109378, activity:1109379, activity:1828342, activity:1828349, activity:1828356, activity:1828363, activity:1828370, activity:1828377, activity:1828384, activity:1828391, activity:1828398, activity:1828405, activity:1828457, activity:1828465, activity:1828474, activity:1828482