e-Drug3D

1636

DAUNORUBICINOL


INN
DAUNORUBICINOL

(is an active metabolite)

cas 28008-55-1
CLASS

ANTINEOPLASTIC
ANTIBIOTICS
CYTOTOXIC
ANTIMITOTIC
ANTHRACYCLINES
INDICATED FOR REMISSION INDUCTION IN ACUTE NONLYMPHOCYTIC LEUKEMIA
INTERCALANT

ROUTE (list)

-

ATC code

L01XY01
L01DB02

PK parameters

t1/2 26.7 HOUR

Target

TARGET TOPOISOMERASE II
DNA
MULTIDRUG RESISTANCE PROTEIN 1
POLYMERASE

DrugCentral

DNA topoisomerase 2-alpha UNIPROT P11388 TOP2A

Download SDF file 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[(1S)-1-hydroxyethyl]-1-methoxy-, (8S,10S)-

Formula:
C27H31NO10

Calculated chemical properties:

MW 529.53
NB_atoms 38
XLogP 0.82
PSA 171.807
NB_HD 7
NB_HA 11
fsp3 0.48
Lipinski(0=no;1=yes) 0

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

1011

DAUNORUBICIN


INN
DAUNORUBICIN

(has an active metabolite)

cas 20830-81-3
CLASS

ANTINEOPLASTIC
ANTIBIOTICS
CYTOTOXIC
ANTIMITOTIC
ANTHRACYCLINES
INDICATED FOR REMISSION INDUCTION IN ACUTE NONLYMPHOCYTIC LEUKEMIA
INTERCALANT

ROUTE (list)

INJECTION INTRAVENOUS

NATURAL MOLECULE (link)

ATC code

L01XY01
L01DB02

PK parameters

VD 1006 LITER
Cl 14 LITER / HOUR
t1/2 18.5 HOUR

Target

TARGET TOPOISOMERASE II
DNA
MULTIDRUG RESISTANCE PROTEIN 1
POLYMERASE

PDB
3TVB (A HIGHLY SYMMETRIC DNA G-4 QUADRUPLEX, DRUG COMPLEX)

Ligand code = DM1 (link to the list of PDB complexes)

Download experimental 3D coordinates of DM1 with added hydrogens

DrugCentral

DNA topoisomerase 2-alpha UNIPROT P11388 TOP2A

Download SDF file (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Formula:
C27H29NO10

Calculated chemical properties:

MW 527.51
NB_atoms 38
XLogP 1.03
PSA 169.416
NB_HD 6
NB_HA 11
fsp3 0.44
Lipinski(0=no;1=yes) 0

FDA
NDA 050484 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) CERUBIDINE (WYETH AYERST) APPROVAL= AP YEAR= 1979 DISCONTINUED
NDA 061876 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) CERUBIDINE (SANOFI AVENTIS US) APPROVAL= AP YEAR= 1980 DISCONTINUED
NDA 064103 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) CERUBIDINE (HIKMA) APPROVAL= AP YEAR= 1995
NDA 050704 (pdf not found) INN (DAUNORUBICIN CITRATE) DAUNOXOME (GALEN (UK)) APPROVAL= AP YEAR= 1996 DISCONTINUED
NDA 050731 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (HIKMA) APPROVAL= AP YEAR= 1998
NDA 064212 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (TEVA PARENTERAL) APPROVAL= AP YEAR= 1998 DISCONTINUED
NDA 065000 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (FRESENIUS KABI USA) APPROVAL= AP YEAR= 1999
NDA 065035 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (MEITHEAL) APPROVAL= AP YEAR= 2000
NDA 065034 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (FRESENIUS KABI USA) APPROVAL= AP YEAR= 2001 DISCONTINUED
NDA 209401 (label) INN (CYTARABINE ; DAUNORUBICIN) VYXEOS (JAZZ PHARMS THERAP) APPROVAL= AP YEAR= 2017
NDA 206195 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (HISUN PHARM HANGZHOU) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 208759 (pdf not found) INN (DAUNORUBICIN HYDROCHLORIDE) DAUNORUBICIN HYDROCHLORIDE (HISUN PHARM HANGZHOU) APPROVAL= AP YEAR= 2019

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL