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

Stem definitionDrug idCAS RN
antineoplastics, topoisomerase I inhibitors 1120 171335-80-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • exatecan
  • DX 8951
  • DX-8951a
  • DX-8951f
  • exatecan mesylate
  • exatecan hydrochloride
DX-8951a is hydrochloride & DX-895If is methanesulfonate; exatecan mesylate is a synonym for DX-8951f; structure given in first and second source
  • Molecular weight: 435.46
  • Formula: C24H22FN3O4
  • CLOGP: 1.25
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 2
  • TPSA: 105.75
  • ALOGS: -3.29
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.44 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.96 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 6.70 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.930 Moderate 0.76
caco2-efflux Caco-2 efflux ratio (BA/AB) 7.063 Moderate 0.76
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 17.824 10^-6 cm/s Moderate 0.76
dh-clint Dog hepatocyte intrinsic clearance 2.128 uL/min/10^6 cells Moderate 0.76
dppb Dog plasma protein binding (% unbound) 15.850 % Moderate 0.76
fcs-ppb Fetal calf serum protein binding (% unbound) 37.980 % Moderate 0.76
herg hERG pIC50 5 pIC50 Moderate 0.76
hh-clint Human hepatocyte intrinsic clearance 4.395 uL/min/10^6 cells Moderate 0.76
hlm-clint Human liver microsomal intrinsic clearance 44.157 uL/min/mg protein Moderate 0.76
hppb Human plasma protein binding (% unbound) 3.110 % Moderate 0.76
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,CLK4,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GAK,GRK2,GSK3B,INSR,IRAK1,ITK,JAK2,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAP4K5,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PIM3,PRKCD,PRKCZ,PRKDC,SIK2,SIK3,STK17A,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ZAP70 74
kinase-selectivity-class AXL,CLK2,CLK4,EIF2AK3,MAP2K6,MAP3K7,PDK1,PRKDC,ZAP70 9
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 9.099 High 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 14.256 Moderate 0.76
mh-clint Mouse hepatocyte intrinsic clearance 9.550 Moderate 0.76
mppb Mouse plasma protein binding (% unbound) 12.030 Moderate 0.76
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 23.335 Moderate 0.76
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 25.310 % Moderate 0.76
rat-kpuu-brain Rat brain Kpuu 0.034 % High 1
rh-clint Rat hepatocyte intrinsic clearance 12.589 uL/min/10^6 cells Moderate 0.76
rh-fuinc Rat hepatocyte fraction unbound in incubation 67.330 % Moderate 0.76
rppb Rat plasma protein binding (% unbound) 8.110 % Moderate 0.76
solubility-dd Solubility at pH 7.4 in DMSO 10.965 uM Moderate 0.76

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

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
pKa2 7.84 Basic
pKa3 0.14 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0965941 UMLSCUI
CHEBI:135709 CHEBI
CHEMBL1614650 ChEMBL_ID
DB12185 DRUGBANK_ID
C095887 MESH_SUPPLEMENTAL_RECORD_UI
7887 INN_ID
OC71PP0F89 UNII
151115 PUBCHEM_CID
A1B7L PDB_CHEM_ID
CHEMBL3989759 ChEMBL_ID
197720-53-9 SECONDARY_CAS_RN
OC71PP0F89 INXIGHT DRUGS

Pharmaceutical products:

None