Details of the Drug

General Information of Drug (ID: DMVAOME)

Drug Name
Oleandomycin
Synonyms
Oleandomycin A; Amimycin; Landomycin; Matromycin; Antibiotic PA 105; LMPK04000007; P8ZQ646136; PA 105; Prestwick3_000152; RZPAKFUAFGMUPI-QESOVKLGSA-N; Romicil; SCHEMBL3717; ZINC85432018; oleandomycin; 3922-90-5; AB00513809; AC1L2I65; BDBM234401; BPBio1_000314; BSPBio_000284; C01946; CHEBI:16869; CHEMBL606258; CS-0063452; E704; HY-116010; NCGC00179617-01; UNII-P8ZQ646136
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 687.9
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 13
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 9.1 mL/min/kg [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.05 hours [1]
Unbound Fraction
The unbound fraction of drug in plasma is 0.4% [1]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.77 L/kg [1]
Chemical Identifiers
Formula
C35H61NO12
IUPAC Name
(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
Canonical SMILES
CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C
InChI
RZPAKFUAFGMUPI-QESOVKLGSA-N
InChIKey
1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
Cross-matching ID
PubChem CID
72493
ChEBI ID
CHEBI:16869
CAS Number
3922-90-5
DrugBank ID
DB11442
INTEDE ID
DR1189

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 1A1 (UGT1A1)
Main DME 		DEYGVN4 UD11_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Inversion of the anomeric configuration of the transferred sugar during inactivation of the macrolide antibiotic oleandomycin catalyzed by a macrolide glycosyltransferase. FEBS Lett. 2000 Jul 7;476(3):186-9.