betamipron ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
355 3440-28-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • betamipron
  • 3-Benzamidopropionic acid
  • Benzoyl-beta-alanine
  • Molecular weight: 193.20
  • Formula: C10H11NO3
  • CLOGP: 0.72
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 2
  • TPSA: 66.40
  • ALOGS: -2.34
  • ROTB: 4

Drug dosage:

DoseUnitRoute
2 g P

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 4 Bocci G, Oprea TI, Benet LZ
EoM (Fraction excreted unchanged in urine) 98 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 73.94 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution) 0.28 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 9.20 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.17 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 0.59 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.992 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.989 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 5.212 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 2.404 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 49.420 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 62.940 % High 1
herg hERG pIC50 4.301 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.746 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.228 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 47.640 % High 1
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK 39
kinase-selectivity-class ACVR2B,AXL,BRAF,CDK9,EIF2AK3,GRK2,PIK3CD 7
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.608 High 1
mh-clint Mouse hepatocyte intrinsic clearance 0.885 High 1
mppb Mouse plasma protein binding (% unbound) 89.050 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.247 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 68.430 % High 1
rh-clint Rat hepatocyte intrinsic clearance 0.940 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 91.550 % High 1
rppb Rat plasma protein binding (% unbound) 58.490 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 914.113 uM High 1

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1993 YEAR INTRODUCED

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
ATC J01DH55 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
OTHER BETA-LACTAM ANTIBACTERIALS
Carbapenems

Related Drugs by ATC class:

J01DH Carbapenems 10 drugs

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

None




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.08 acidic
pKa2 12.18 acidic

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
Solute carrier family 22 member 6 Transporter Ki 4.62 WOMBAT-PK
Solute carrier family 22 member 8 Transporter Ki 4.32 WOMBAT-PK

External reference:

IDSource
D01331 KEGG_DRUG
C0208283 UMLSCUI
CHEBI:31278 CHEBI
BYA PDB_CHEM_ID
CHEMBL1231530 ChEMBL_ID
71651 PUBCHEM_CID
C047207 MESH_SUPPLEMENTAL_RECORD_UI
6741 INN_ID
3W0M245736 UNII
3W0M245736 INXIGHT DRUGS

Pharmaceutical products:

None