Details of the Drug

General Information of Drug (ID: DMDQK9G)

Drug Name
Miocamycin
Synonyms
Macroral; Midecamycin acetate (JP17); Midecamycin acetate [JAN]; Miocamen; Miocamycin; Miocamycin (TN); Miocamycine; Miokamycin; Myocamicin; Ponsinomycin; SCHEMBL139293; ZINC169677000; midecamycin acetate; 3'',9-Diacetylmydecamycin; 3T48CPS7U2; 55881-07-7; 9,3''-Di-O-Acetylmidecamycin; 9,3''-Diacetylmidecamycin; AC1NQZMS; Acecamycin; C45H71NO17; CHEMBL1091024; DTXSID60905087; EINECS 259-879-6; Leucomycin V, 3(sup B),9-diacetate 3,4(sup B)-dipropanoate; Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate; MOM; Mosil; UNII-3T48CPS7U2
ATC Code
J01FA11: Miocamycin
J01FA: Macrolides
J01F: MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 898
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 18
Chemical Identifiers
Formula
C45H71NO17
IUPAC Name
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Canonical SMILES
CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C
InChI
InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey
GQNZGCARKRHPOH-RQIKCTSVSA-N
Cross-matching ID
PubChem CID
5282188
CAS Number
55881-07-7
UNII
3T48CPS7U2
DrugBank ID
DB13287
INTEDE ID
DR1096
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of triazolam clearance by macrolide antimicrobial agents: in vitro correlates and dynamic consequences. Clin Pharmacol Ther. 1998 Sep;64(3):278-85.