e-Drug3D

1711

DALBAVANCIN


INN
DALBAVANCIN

cas 171500-79-1
CLASS

ANTIINFECTIVES
TREATMENT OF FOR ACUTE BACTERIAL SKIN AND SKIN STRUCTURE INFECTIONS
LIPOGLYCOPEPTIDE SYNTHESIZED FROM A FERMENTATION PRODUCT OF NONOMURAEA SPECIES
A MIXTURE OF FIVE CLOSELY RELATED ACTIVE HOMOLOGS (A0, A1, B0, B1 AND B2)
B0 IS THE MAJOR COMPONENT OF DALBAVANCIN
INTERFERES WITH CELL WALL SYNTHESIS BY BINDING TO THE D-ALANYL-D-ALANINE TERMINUS OF THE STEM PENTAPEPTIDE IN NASCENT CELL WALL PEPTIDOGLYCAN

ROUTE (list)

INTRAVENOUS

ATC code

J01XA04

PK parameters

Cmax 158 MICROMOLAR (1000 MILLIGRAM)
Cl 0.0513 LITER / HOUR
PPB 93 PERCENT
t1/2 346 HOUR

Target

TARGET PEPTIDOGLYCAN PRECURSORS

PDB
3RUL (A CARRIER PROTEIN STRATEGY YIELDS THE STRUCTURE OF DALBAVANCIN)

Ligand code = - (link to the list of PDB complexes)

Download experimental 3D coordinates of - with added hydrogens

DrugCentral

Unknown

Download SDF file Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-beta-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-alpha-D-mannopyranosyl-N15-methyl-

Formula:
C88H100Cl2N10O28

Calculated chemical properties:

MW 1815.67
NB_atoms 128
XLogP 2.83
PSA 530.767
NB_HD 20
NB_HA 38
fsp3 0.42
Lipinski(0=no;1=yes) 0

FDA
NDA 021883 (label) INN (DALBAVANCIN HYDROCHLORIDE) DALVANCE (ABBVIE) APPROVAL= AP YEAR= 2014 NEWMOLECULARENTITY
NDA 217591 (pdf not found) INN (DALBAVANCIN HYDROCHLORIDE) DALBAVANCIN HYDROCHLORIDE (FRESENIUS KABI USA) APPROVAL= AP YEAR= 2025
NDA 218929 (pdf not found) INN (DALBAVANCIN HYDROCHLORIDE) DALBAVANCIN HYDROCHLORIDE (KINDOS) APPROVAL= AP YEAR= 2025
NDA 219465 (pdf not found) INN (DALBAVANCIN HYDROCHLORIDE) DALBAVANCIN HYDROCHLORIDE (TEVA PHARMS INC) APPROVAL= AP YEAR= 2025
NDA 218602 (pdf not found) INN (DALBAVANCIN HYDROCHLORIDE) DALBAVANCIN HYDROCHLORIDE (LONG GROVE PHARMS) APPROVAL= AP YEAR= 2026
NDA 219604 (pdf not found) INN (DALBAVANCIN HYDROCHLORIDE) DALBAVANCIN HYDROCHLORIDE (BE PHARMS) APPROVAL= AP YEAR= 2026

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL