Drug Details

General Information of the Drug (ID: DR0641)
Name
Minocycline
Synonyms
minocycline; 10118-90-8; Minocyclin; Minociclina; Minocyn; Dynacin; Minocin; Minomycin; CL 59806; MINO; 7-Dimethylamino-6-demethyl-6-deoxytetracycline; UNII-FYY3R43WGO; CHEBI:50694; FYY3R43WGO; (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE; Tri-minocycline; Minocyclinum; 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-; Minocyclinum [INN-Latin]; NCGC00183044-01; Borymycin; Minociclina [INN-Spanish]; MIY; minociclinum; Minocline; Minoz; 4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; HSDB 3130; NSC-141993; Minocin (Hydrochloride); Vectrin (Hydrochloride); Minocycline (USAN/INN); BRN 3077644; Lactoferrin B & Minocycline; Lactoferrin H & Minocycline; Minocycline [USAN:INN:BAN]; SR-05000001675; (minocycline); (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE; (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide; NSC141993; Spectrum_000967; Prestwick0_000315; Prestwick1_000315; Prestwick2_000315; Spectrum2_001047; Spectrum3_000508; Spectrum4_000062; Spectrum5_001293; SCHEMBL4042; CHEMBL1434; DSSTox_CID_25033; DSSTox_RID_80650; DSSTox_GSID_45033; SCHEMBL24315; BSPBio_002035; KBioGR_000583; KBioSS_001447; 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,12aalpha))-; cc-666; ls-007; CHEMBL69484; DivK1c_000450; SPBio_000974; SPBio_002529; DTXSID1045033; SCHEMBL16681149; BCBcMAP01_000027; GTPL10831; KBio1_000450; KBio2_001447; KBio2_004015; KBio2_006583; KBio3_001535; NINDS_000450; HMS2090D03; KUC106429N; KSC-12-231B; ZINC4019704; Tox21_113643; BDBM50103599; LMPK07000002; ZINC14879992; AKOS015969674; ZINC100409820; BCP9000928; CL59806; DB01017; IDI1_000450; SMP1_000191; NCGC00178854-01; NCGC00178854-02; NCGC00188954-01; AC-30184; CL-59806; SBI-0051449.P003; CAS-10118-90-8; AM20090714; 1371-EP2269978A2; 1371-EP2269985A2; 1371-EP2269991A2; 1371-EP2272832A1; 1371-EP2284150A2; 1371-EP2284151A2; 1371-EP2284152A2; 1371-EP2284153A2; 1371-EP2284155A2; 1371-EP2284156A2; 1371-EP2284164A2; 1371-EP2287140A2; 1371-EP2287148A2; 1371-EP2287150A2; 1371-EP2289871A1; 1371-EP2292590A2; 1371-EP2292612A2; 1371-EP2295402A2; 1371-EP2295419A2; 1371-EP2295426A1; 1371-EP2295427A1; 1371-EP2298732A1; 1371-EP2301534A1; 1371-EP2301912A2; 1371-EP2301913A1; 1371-EP2301914A1; 1371-EP2301916A2; 1371-EP2305637A2; 1371-EP2308832A1; 1371-EP2308863A1; 1371-EP2311451A1; 1371-EP2311796A1; 1371-EP2311797A1; 1371-EP2311798A1; 1371-EP2311799A1; 1371-EP2316450A1; 18M908; C07225; D05045; AB00053501-03; AB00053501_04; AB00053501_05; Q415336; J-500789; SR-05000001675-3; (2E,4S,4aR,5aS,12aR)-2-(amino-hydroxy-methylidene)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3 ,12-trione; (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-
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Molecular Type
Small molecule
Disease Bacterial infection [ICD-11: 1A00-1C4Z] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 31.6 mgh/L
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 1.6 mg/L
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1.9 h
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Bioavailability
97% of drug becomes completely available to its intended biological destination(s)
Clearance
The clearance of drug is 3.36-5.7 L/h
Elimination
4.5-9% of an intravenous minocycline dose is recovered in the urine
Half-life
The concentration or amount of drug in body reduced by one-half in 11.1 - 22.1 hours
Metabolism
The drug is metabolized to 9-hydroxyminocycline
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 6.87 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.005%
Vd
The volume of distribution (Vd) of drug is 67.5-115 L
Water Solubility
The ability of drug to dissolve in water is measured as 50 mg/mL
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C23H27N3O7
PubChem CID
54675783
Canonical SMILES
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C
InChI
1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
InChIKey
FFTVPQUHLQBXQZ-KVUCHLLUSA-N
CAS Number
CAS 10118-90-8
ChEBI ID
CHEBI:50694
TTD Drug ID
D08LTU
DrugBank ID
DB01017
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Decrease the Adverse Effect of This Drug
          Glatiramer acetate      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression IL5  Molecule Info 
Pathway MAP
                    In-vivo Model EAE was induced in C57/BL6 mice by using 50 Ag of the immunogenic myelin oligodendrocyte glycoprotein (MOG) peptide.
                    Experimental
                    Result(s)		 This combination resulted in a significant reduction of disease severity and disease burden with attenuation of the inflammation, axonal loss and demyelination.
Target and Pathway
Target(s) Staphylococcus 30S ribosomal subunit (Stap-coc pbp2)  Molecule Info  [3]
References
Reference 1 Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.
Reference 2 Additive effect of the combination of glatiramer acetate and minocycline in a model of MS. J Neuroimmunol. 2005 Jan;158(1-2):213-21.
Reference 3 Functional, biophysical, and structural bases for antibacterial activity of tigecycline. Antimicrob Agents Chemother. 2006 Jun;50(6):2156-66.
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