Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DCL000748

Drug Information
NameCethromycin
SynonymsCHEMBL365528; CID447451; (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; CHEMBL133924; ABT-773; C12020; 205110-48-1; (1S,2R,5R,7R,8R,9R,11R,13R,14R)-2-Ethyl-1,5,7,9,11,13-Hexamethyl-9-[3-(3-quinolyl)-2(E)-propenyloxy]-8-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-glucopyranosyloxy]-3,17-dioxa-15-azabicyclo[12.3.0]hepta; 2H-Oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-3a,7,9,11,13,15-hexamethyl-11-((3-(3-quinolinyl)-2-propenyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-; Abbott-195773; ABT 773; LS-187642; Cethromycin [USAN]; A-195773; AC1NQZEX; AC1L9KVM; D02391; Cethromycin; (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyl-3a,7,9,11,13,15 hexamethyl-11-((3-(quinolin-3-yl)prop-2-enyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)octahydro-2H-oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1H,7H,9H)-tetrone; CID5282045; (1R,2R,4R,6S,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; LS-187007; Restanza; Cethromycin (USAN/INN); CHEBI:40317; (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyl-3a,7,9,11,13,15-hexamethyl-11-((3-(quinolin-3-yl)prop-2-enyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)octahydro-2H-oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1H,7H,9H)-tetrone; A-195773.0
CompanyAdvanced life sciences
IndicationPneumonia,Bacterial infections
[ICD9: 001-009, 001-139, 010-018, 020-027, 030-041, 080-088, 090-099, 100-104, 480-486, 770.0   ICD10: A00-A09, A00-B99, A15-A19, A20-A28, A30-A49, A65-A69, A70-A74, A75-A79, J12, J13 , J14, J15, J16, J17, J18, P23]
Phase III    [1]
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21
-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(
47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,2
0,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+
/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
InChIKeyPENDGIOBPJLVBT-ONLVEXIXSA-N
Canonical SMILESCCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)
OCC=CC4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C    
Isomeric SMILESCC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H]
(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=
CC=CC=C5N=C4)C)C)NC(=O)O2)C
CAS NumberCAS 205110-48-1
PubChem Compound IDCID 447451.
PubChem Substance IDSID 733826.
ClinicalTrials.govNCT00336544;
Target23S rRNA domain VInhibitor[1]
Ref 1How many modes of action should an antibiotic have? Curr Opin Pharmacol. 2008 Oct;8(5):564-73. Epub 2008 Jul 30. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543