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

Stem definitionDrug idCAS RN
3689 56741-95-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bropirimine
  • Molecular weight: 266.10
  • Formula: C10H8BrN3O
  • CLOGP: 1.28
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 2
  • TPSA: 67.48
  • ALOGS: -3.12
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.437 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 4.887 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 37.411 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 2.999 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 8.010 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 10.800 % High 1
herg hERG pIC50 3.911 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.671 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 2.748 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 3.700 % High 1
kinase-safety-class ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,TEK,TTK,ULK1,ULK2 54
kinase-selectivity-class ACVR2A,ACVR2B,AXL,BRAF,CDK9,DYRK1B,ERBB2,GRK2,MAP2K3,MAP3K21,MAPK7,SIK2,STK33,TEK 14
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.715 High 1
mh-clint Mouse hepatocyte intrinsic clearance 4.083 High 1
mppb Mouse plasma protein binding (% unbound) 10.540 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.155 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 8.390 % High 1
rh-clint Rat hepatocyte intrinsic clearance 2.259 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 87.110 % High 1
rppb Rat plasma protein binding (% unbound) 3.240 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 374.973 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 D000276 Adjuvants, Immunologic
MeSH PA D000970 Antineoplastic Agents
MeSH PA D007155 Immunologic Factors
MeSH PA D007369 Interferon Inducers

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 6.9 acidic
pKa2 1.09 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
Xanthine dehydrogenase/oxidase Enzyme IC50 6 CHEMBL

External reference:

IDSource
D01666 KEGG_DRUG
C0054150 UMLSCUI
CHEBI:31307 CHEBI
977 PDB_CHEM_ID
CHEMBL37387 ChEMBL_ID
DB04168 DRUGBANK_ID
C033560 MESH_SUPPLEMENTAL_RECORD_UI
135413497 PUBCHEM_CID
5903 INN_ID
J57CTF25XJ UNII
J57CTF25XJ INXIGHT DRUGS

Pharmaceutical products:

None