zorubicin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
antineoplastics, daunorubicin derivatives 2874 54083-22-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • zorubicin
  • daunomycin benzoylhydrazone
  • rubidazon
  • rubidazone
  • Molecular weight: 645.67
  • Formula: C34H35N3O10
  • CLOGP: 2.17
  • LIPINSKI: 3
  • HAC: 13
  • HDO: 6
  • TPSA: 210.23
  • ALOGS: -4.04
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.091 High 0.81
caco2-efflux Caco-2 efflux ratio (BA/AB) 19.543 High 0.81
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 10.839 10^-6 cm/s High 0.81
dh-clint Dog hepatocyte intrinsic clearance 3.990 uL/min/10^6 cells High 0.81
dppb Dog plasma protein binding (% unbound) 8.410 % High 0.81
fcs-ppb Fetal calf serum protein binding (% unbound) 10.820 % High 0.81
herg hERG pIC50 4.853 pIC50 High 0.81
hh-clint Human hepatocyte intrinsic clearance 2.805 uL/min/10^6 cells High 0.81
hlm-clint Human liver microsomal intrinsic clearance 5.689 uL/min/mg protein High 0.81
hppb Human plasma protein binding (% unbound) 5.010 % High 0.81
kinase-safety-class ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 50
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 50.003 High 0.81
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 19.409 High 0.81
mh-clint Mouse hepatocyte intrinsic clearance 9.268 High 0.81
mppb Mouse plasma protein binding (% unbound) 5.300 High 0.81
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 31.623 High 0.81
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.68
pppb Pig plasma protein binding (% unbound) 10.150 % High 0.81
rat-kpuu-brain Rat brain Kpuu 0.014 % High 0.81
rh-clint Rat hepatocyte intrinsic clearance 6.026 uL/min/10^6 cells High 0.81
rh-fuinc Rat hepatocyte fraction unbound in incubation 43.480 % High 0.81
rppb Rat plasma protein binding (% unbound) 4.880 % High 0.81
solubility-dd Solubility at pH 7.4 in DMSO 11.641 uM High 0.81

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC L01DB05 ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Anthracyclines and related substances
MeSH PA D000903 Antibiotics, Antineoplastic
MeSH PA D000970 Antineoplastic Agents

Related Drugs by ATC class:

L01DB Anthracyclines and related substances 10 drugs
aclarubicinamrubicindaunorubicindoxorubicinepirubicinidarubicinmitoxantronepirarubicinpixantronevalrubicin

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.66 acidic
pKa2 10.43 acidic
pKa3 11.23 acidic
pKa4 13.4 acidic
pKa5 8.6 Basic
pKa6 3.76 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0206788 UMLSCUI
CHEMBL1697854 ChEMBL_ID
CHEMBL2105778 ChEMBL_ID
CHEMBL449927 ChEMBL_ID
DB11618 DRUGBANK_ID
C002205 MESH_SUPPLEMENTAL_RECORD_UI
4349 INN_ID
V25F9362OP UNII
57164040 PUBCHEM_CID
008185 NDDF
CHEBI:135863 CHEBI
V25F9362OP INXIGHT DRUGS

Pharmaceutical products:

None