Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01366
|
|||||
| Drug Name |
Dirithromycin
|
|||||
| Synonyms |
Dirithromycine; Dirithromycinum; Diritromicina; Divitross; Dynabac; Noriclan; Valodin; Dirithromycine [French]; Dirithromycinum [Latin]; Diritromicina [Spanish]; LY 237216; AS-E 136; ASE-136; Dynabac (TN); LY-237216; Dirithromycin (USP/INN); Dirithromycin [USAN:BAN:INN]; (9S)-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]erythromycin
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Bacterial infections [ICD11:1A00-1H0Z] | Approved | [1] | |||
| Therapeutic Class |
Antibiotics
|
|||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C42H78N2O14
|
|||||
| Canonical SMILES |
CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O
|
|||||
| InChI |
InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
|
|||||
| InChIKey |
WLOHNSSYAXHWNR-DWIOZXRMSA-N
|
|||||
| CAS Number |
CAS 62013-04-1
|
|||||
| Pharmaceutical Properties | Molecular Weight | 835.1 | Topological Polar Surface Area | 196 | ||
| Heavy Atom Count | 58 | Rotatable Bond Count | 12 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 16 | |||
| XLogP |
4.2
|
|||||
| PubChem CID | ||||||
| PubChem SID | ||||||
| ChEBI ID |
CHEBI:474014
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Dirithromycin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Arginine-482 is not essential for transport of antibiotics, primary bile acids and unconjugated sterols by the human breast cancer resistance protein (ABCG2). Biochem J. 2005 Jan 15;385(Pt 2):419-26. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.