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

Stem definitionDrug idCAS RN
dipeptidyl aminopeptidase-IV inhibitors 5013 865759-25-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • TAK-472
  • trelagliptin
  • trelagliptin succinate
  • SYR-472
  • SYR111472
  • zafatek
Trelagliptin is an orally active dipeptidyl peptidase (DPP)-4 inhibitor developed by Takeda and approved in Japan for the treatment of type 2 diabetes mellitus.
  • Molecular weight: 357.39
  • Formula: C18H20FN5O2
  • CLOGP: 1.41
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 1
  • TPSA: 93.67
  • ALOGS: -3.22
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.376 Moderate 0.79
caco2-efflux Caco-2 efflux ratio (BA/AB) 7.063 Moderate 0.79
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.151 10^-6 cm/s Moderate 0.79
dh-clint Dog hepatocyte intrinsic clearance 1.514 uL/min/10^6 cells Moderate 0.79
dppb Dog plasma protein binding (% unbound) 81.400 % Moderate 0.79
fcs-ppb Fetal calf serum protein binding (% unbound) 76.600 % Moderate 0.79
herg hERG pIC50 4.559 pIC50 Moderate 0.79
hh-clint Human hepatocyte intrinsic clearance 1.089 uL/min/10^6 cells Moderate 0.79
hlm-clint Human liver microsomal intrinsic clearance 3.192 uL/min/mg protein Moderate 0.79
hppb Human plasma protein binding (% unbound) 82.590 % Moderate 0.79
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K21,MAPK10,MAPK7,MET,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PRKDC,SIK2,SIK3,TEK 29
kinase-selectivity-class AXL,CAMK2D,CDK9,GRK2,MET,PRKDC 6
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.406 Moderate 0.79
mh-clint Mouse hepatocyte intrinsic clearance 4.529 Moderate 0.79
mppb Mouse plasma protein binding (% unbound) 77.250 Moderate 0.79
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 7.621 Moderate 0.79
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 89.930 % Moderate 0.79
rh-clint Rat hepatocyte intrinsic clearance 2.188 uL/min/10^6 cells Moderate 0.79
rh-fuinc Rat hepatocyte fraction unbound in incubation 90.180 % Moderate 0.79
rppb Rat plasma protein binding (% unbound) 82.450 % Moderate 0.79
solubility-dd Solubility at pH 7.4 in DMSO 970.510 uM Moderate 0.79

Approvals:

DateAgencyCompanyOrphan
March 26, 2015 PMDA Takeda

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
CHEBI has role CHEBI:35526 hypoglycemic agent

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

DiseaseRelationSNOMED_IDDOID
Diabetes mellitus type 2 indication 44054006 DOID:9352




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.4 Basic
pKa2 1.33 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
Dipeptidyl peptidase 4 Enzyme INHIBITOR IC50 8.40 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE

External reference:

IDSource
Q836OWG55H UNII
D10178 KEGG_DRUG
1029877-94-8 SECONDARY_CAS_RN
C4045234 UMLSCUI
CHEBI:134715 CHEBI
6RL PDB_CHEM_ID
CHEMBL1650443 ChEMBL_ID
15983988 PUBCHEM_CID
DB15323 DRUGBANK_ID
CHEMBL2105754 ChEMBL_ID
9556 INN_ID
C000595449 MESH_SUPPLEMENTAL_RECORD_UI
Q836OWG55H INXIGHT DRUGS

Pharmaceutical products:

None