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

Stem definitionDrug idCAS RN
antineoplastics, topoisomerase I inhibitors 2411 91421-42-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • rubitecan
  • 9-Nitrocamptothecin
  • orathecin
  • Molecular weight: 393.36
  • Formula: C20H15N3O6
  • CLOGP: 1.06
  • LIPINSKI: 0
  • HAC: 9
  • HDO: 1
  • TPSA: 125.55
  • ALOGS: -3.22
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.389 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.768 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 34.198 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 4.966 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 13.980 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 22.990 % High 1
herg hERG pIC50 4.870 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 3.459 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 14.962 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 3.690 % High 1
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CLK4,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GRK3,GSK3B,IKBKB,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK17A,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 85
kinase-selectivity-class AXL,CDK4,CDK9,DYRK1B,EIF2AK3,GRK2,IRAK1,MAP2K6,MAP3K14,MAPK12,MAPK7,MET,PDK1,PRKDC,STK33,SYK,TEK,TTK,ZAP70 19
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 11.350 Moderate 0.65
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 9.840 High 1
mh-clint Mouse hepatocyte intrinsic clearance 7.278 High 1
mppb Mouse plasma protein binding (% unbound) 10.930 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 10.209 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 17.550 % High 1
rat-kpuu-brain Rat brain Kpuu 0.029 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 6.637 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 79.440 % High 1
rppb Rat plasma protein binding (% unbound) 5.110 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 59.156 uM High 1

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
MeSH PA D000970 Antineoplastic Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D059003 Topoisomerase Inhibitors
MeSH PA D059004 Topoisomerase I Inhibitors
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:50266 prodrug
CHEBI has role CHEBI:50276 EC 5.99.1.2 (DNA topoisomerase) inhibitor

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 10.46 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D04031 KEGG_DRUG
C0213800 UMLSCUI
CHEBI:90225 CHEBI
CHEMBL77305 ChEMBL_ID
DB06159 DRUGBANK_ID
C079905 MESH_SUPPLEMENTAL_RECORD_UI
472335 PUBCHEM_CID
7946 INN_ID
H19C446XXB UNII
H19C446XXB INXIGHT DRUGS

Pharmaceutical products:

None