Doxycycline 10μM R00 exp18

Inhibits bacterial 30S ribosome, also used in tet-on/tet-off gene expression control

PubChem Name: (4S,5S,6R,12Ar)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;hydrate;dihydrochloride
Synonyms: Doxycycline hydrochloride hemiethanolate hemihydrate; WC2031
CAS #: 24390-14-5
PubChem CID: 54713024
IUPAC: (4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;hydrate;dihydrochloride
INCHI Name: InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(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;1-2-3;;;/h2*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10?,14?,15-,17-,22-;;;;/m00…./s1
INCHI Key: UHHHTIKWXBRCLT-ZVACAFRPSA-N
Molecular Weight: 1025.9
Canonical SMILES: CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl
Isomeric SMILES: CCO.C[C@@H]1C2[C@@H](C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1C2[C@@H](C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl
Molecular Formula: C46H58Cl2N4O18

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
4/17	Scores	View	View	View	View	View

Screen	Correlation	Plot
UM0131023 0.05μM R05 exp248	0.066	View
Hypoxia 5%O2 R04 exp191	0.056	View
Pimelic-diphenylamide-106 0.5μM R00 exp27	0.056	View
Betulinic acid 10 to 15μM on day4 R05 exp222	0.056	View