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

Stem definitionDrug idCAS RN
tyrosine kinase inhibitors 5211 811803-05-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • rivoceranib
  • apatinib
  • apatinib mesylate
  • apatinib mesilate
  • YN968D1
Apatinib is an oral tyrosine kinase inhibitor approved in China for the treatment of patients with advanced metastatic gastric cancer.
  • Molecular weight: 397.48
  • Formula: C24H23N5O
  • CLOGP: 3.72
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 2
  • TPSA: 90.70
  • ALOGS: -4.52
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.985 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.057 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 56.234 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 17.906 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 1.280 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 4.150 % High 1
herg hERG pIC50 5.087 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 43.652 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 215.278 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 1.280 % High 1
kinase-safety-class AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAPK7,MARK4,MET,NTRK2,PDK2,PDK4,PIK3CB,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK 33
kinase-selectivity-class AXL,GRK2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 3.126 High 1
mh-clint Mouse hepatocyte intrinsic clearance 77.446 High 1
mppb Mouse plasma protein binding (% unbound) 1.270 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 8.690 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 2.610 % High 1
rh-clint Rat hepatocyte intrinsic clearance 83.560 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 7.980 % High 1
rppb Rat plasma protein binding (% unbound) 1.360 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 1.119 uM High 1

Approvals:

DateAgencyCompanyOrphan
None China Food and Drug Administration (CFDA)

FDA Adverse Event Reporting System (Female)

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
Myelosuppression 142.32 65.55 33 260 53558 90574596
Neurotoxicity 77.09 65.55 17 276 21450 90606704

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
Neurotoxicity 143.17 75.81 32 227 23619 42597457
Alopecia 131.07 75.81 31 228 29245 42591831

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
Myelosuppression 138.09 64.47 38 418 94302 110494541
Palmar-plantar erythrodysaesthesia syndrome 90.74 64.47 23 433 41002 110547841

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC L01EK05 ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
PROTEIN KINASE INHIBITORS
Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors
MeSH PA D000970 Antineoplastic Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D047428 Protein Kinase Inhibitors
CHEBI has role CHEBI:35610 antineoplastic agent

Related Drugs by ATC class:

L01EK Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors 3 drugs
axitinibfruquintinibtivozanib

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

DiseaseRelationSNOMED_IDDOID
Secondary malignant neoplasm of stomach indication 94606003




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.66 acidic
pKa2 6.69 Basic
pKa3 4.82 Basic

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
Vascular endothelial growth factor receptor 2 Kinase INHIBITOR IC50 9 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE
Mitogen-activated protein kinase kinase kinase MLT Kinase Kd 5.32 CHEMBL
Receptor-interacting serine/threonine-protein kinase 3 Kinase Kd 5.62 CHEMBL
Tyrosine-protein kinase CSK Kinase INHIBITOR IC50 6.28 IUPHAR
Proto-oncogene tyrosine-protein kinase Src Kinase INHIBITOR IC50 6.28 SCIENTIFIC LITERATURE
Proto-oncogene tyrosine-protein kinase receptor Ret Kinase INHIBITOR IC50 7.89 SCIENTIFIC LITERATURE
Mast/stem cell growth factor receptor Kit Kinase INHIBITOR IC50 6.37 SCIENTIFIC LITERATURE

External reference:

IDSource
C2346836 UMLSCUI
CHEBI:755209 CHEBI
CHEMBL3186534 ChEMBL_ID
45139106 PUBCHEM_CID
DB14765 DRUGBANK_ID
CHEMBL3545414 ChEMBL_ID
C553458 MESH_SUPPLEMENTAL_RECORD_UI
10596 INN_ID
018934 NDDF
7648 IUPHAR_LIGAND_ID
5S371K6132 UNII
5S371K6132 INXIGHT DRUGS

Pharmaceutical products:

None