Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02GAC
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| Former ID |
DAP000882
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| Drug Name |
Clomocycline
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| Synonyms |
Chlormethylenecycline; Clomociclina; Clomocyclina; Clomocyclinum; Clomociclina [INN-Spanish]; Clomocycline (INN); Clomocycline [INN:BAN]; Clomocyclinum [INN-Latin]; N-2-Hydroxymethylchlortetracycline; N'-Methylolo-chlortetracycline; (2Z,4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(hydroxymethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
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| Drug Type |
Small molecular drug
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| Indication | Bacterial infection [ICD-11: 1A00-1C4Z; ICD-10: A00-B99] | Approved | [1] | |
| Therapeutic Class |
Antibiotics
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| Structure |
 |
Download2D MOL |
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| Formula |
C23H25ClN2O9
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| Canonical SMILES |
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)NCO)N(C)C)O
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| InChI |
1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-29,32,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1
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| InChIKey |
BXTHDFJCJQJHKD-KMVLDZISSA-N
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| CAS Number |
CAS 1181-54-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:59589
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| SuperDrug ATC ID |
J01AA11
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| SuperDrug CAS ID |
cas=001181540
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Staphylococcus 30S ribosomal subunit (Stap-coc pbp2) | Target Info | Binder | [1] |
| References | Top | |||
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| REF 1 | Molecular dynamics simulations of the 30S ribosomal subunit reveal a preferred tetracycline binding site. J Am Chem Soc. 2008 Jan 30;130(4):1114-5. | |||
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