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

Stem definitionDrug idCAS RN
antineoplastics, daunorubicin derivatives 2805 56124-62-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • valrubicin
  • N-Trifluoroacetyladriamycin 14-valerate
  • valstar
  • N-Trifluoroacetyldoxorubicin 14-valerate
  • AD-32
  • Molecular weight: 723.65
  • Formula: C34H36F3NO13
  • CLOGP: 3.19
  • LIPINSKI: 2
  • HAC: 14
  • HDO: 5
  • TPSA: 215.22
  • ALOGS: -4.35
  • ROTB: 12
  • Status: OFP
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 0 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.201 Moderate 0.66
caco2-efflux Caco-2 efflux ratio (BA/AB) 7.709 Moderate 0.66
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 27.669 10^-6 cm/s Moderate 0.66
dh-clint Dog hepatocyte intrinsic clearance 24.378 uL/min/10^6 cells Moderate 0.66
dppb Dog plasma protein binding (% unbound) 1.380 % Moderate 0.66
fcs-ppb Fetal calf serum protein binding (% unbound) 2.220 % Moderate 0.66
herg hERG pIC50 4.958 pIC50 Moderate 0.66
hh-clint Human hepatocyte intrinsic clearance 41.115 uL/min/10^6 cells Moderate 0.66
hlm-clint Human liver microsomal intrinsic clearance 44.259 uL/min/mg protein Moderate 0.66
hppb Human plasma protein binding (% unbound) 0.930 % Moderate 0.66
kinase-safety-class ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,KDR,KIT,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 45
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 40.738 Moderate 0.66
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 19.099 Moderate 0.66
mh-clint Mouse hepatocyte intrinsic clearance 94.406 Moderate 0.66
mppb Mouse plasma protein binding (% unbound) 0.910 Moderate 0.66
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 29.648 Moderate 0.66
pfas-class PFAS structural alert (1 = True, 0 = False) 1
pppb Pig plasma protein binding (% unbound) 1.810 % Moderate 0.66
rat-kpuu-brain Rat brain Kpuu 0.014 % Moderate 0.66
rh-clint Rat hepatocyte intrinsic clearance 153.109 uL/min/10^6 cells Moderate 0.66
rh-fuinc Rat hepatocyte fraction unbound in incubation 21.020 % Moderate 0.66
rppb Rat plasma protein binding (% unbound) 0.690 % Moderate 0.66
solubility-dd Solubility at pH 7.4 in DMSO 40.365 uM Moderate 0.66

Approvals:

DateAgencyCompanyOrphan
Sept. 25, 1998 FDA ENDO PHARM

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Bladder instillation procedure 123.20 78.98 10 65 0 42621260
Urge incontinence 92.08 78.98 11 64 564 42620696

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Bladder instillation procedure 146.41 85.43 11 62 0 110589226
Urge incontinence 102.58 85.43 12 61 1403 110587823

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC L01DB09 ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Anthracyclines and related substances
MeSH PA D000970 Antineoplastic Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D059003 Topoisomerase Inhibitors
MeSH PA D059005 Topoisomerase II Inhibitors
CHEBI has role CHEBI:35610 antineoplastic agent

Related Drugs by ATC class:

L01DB Anthracyclines and related substances 10 drugs
aclarubicinamrubicindaunorubicindoxorubicinepirubicinidarubicinmitoxantronepirarubicinpixantronezorubicin

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

DiseaseRelationSNOMED_IDDOID
Malignant tumor of urinary bladder indication 399326009 DOID:11054
Urinary tract infectious disease contraindication 68566005
Bladder muscle dysfunction - overactive contraindication 236633002
Rupture of bladder contraindication 251925007
Pregnancy, function contraindication 289908002
Breastfeeding (mother) contraindication 413712001
Bladder Surgery contraindication
Small Capacity Bladder contraindication




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.85 acidic
pKa2 9.66 acidic
pKa3 10.37 acidic
pKa4 12.86 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
DNA topoisomerase 2-alpha Enzyme INHIBITOR WOMBAT-PK CHEMBL

External reference:

IDSource
4021144 VUID
N0000148597 NUI
D02697 KEGG_DRUG
4021144 VANDF
C0068314 UMLSCUI
CHEBI:135876 CHEBI
CHEMBL1096885 ChEMBL_ID
DB00385 DRUGBANK_ID
C016163 MESH_SUPPLEMENTAL_RECORD_UI
7750 INN_ID
2C6NUM6878 UNII
454216 PUBCHEM_CID
220725 RXNORM
11903 MMSL
327252 MMSL
399928 MMSL
7552 MMSL
d04356 MMSL
007694 NDDF
116079002 SNOMEDCT_US
387002006 SNOMEDCT_US
2C6NUM6878 INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Valrubicin Intravesical Solution HUMAN PRESCRIPTION DRUG LABEL 1 24201-101 SOLUTION, CONCENTRATE 40 mg INTRAVESICAL ANDA 26 sections
Valstar HUMAN PRESCRIPTION DRUG LABEL 1 67979-001 SOLUTION, CONCENTRATE 40 mg INTRAVESICAL NDA 26 sections