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

Stem definitionDrug idCAS RN
4079 173352-21-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • afobazol
  • afobazole
  • aphobazole
  • fabomotizole
  • Molecular weight: 307.41
  • Formula: C15H21N3O2S
  • CLOGP: 3.31
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 50.38
  • ALOGS: -3.24
  • ROTB: 6

Drug dosage:

DoseUnitRoute
30 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.287 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.902 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 45.920 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 26.915 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 32.620 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 41.390 % Moderate 0.65
herg hERG pIC50 4.503 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 11.246 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 32.063 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 22.300 % Moderate 0.65
kinase-safety-class ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TTK 38
kinase-selectivity-class AXL,BRAF,CAMK2D,DDR1,FLT3,MAP2K6,MAP3K21,MAPK7,MARK4,PDK4,SIK2,SIK3,STK33,TEK,TTK 15
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.419 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 119.399 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 31.120 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.065 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 45.290 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 176.604 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 82.150 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 29.420 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 696.627 uM Moderate 0.65

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
ATC N05BX04 NERVOUS SYSTEM
PSYCHOLEPTICS
ANXIOLYTICS
Other anxiolytics
CHEBI has role CHEBI:35474 anxiolytic drug

Related Drugs by ATC class:

N05BX Other anxiolytics 2 drugs
etifoxinemephenoxalone

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 10.33 acidic
pKa2 8.26 Basic
pKa3 4.79 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D10561 KEGG_DRUG
CHEBI:135309 CHEBI
CHEMBL3707307 ChEMBL_ID
C410924 MESH_SUPPLEMENTAL_RECORD_UI
9270 INN_ID
DB13623 DRUGBANK_ID
0F8K1X115C UNII
C3871450 UMLSCUI
9862937 PUBCHEM_CID
0F8K1X115C INXIGHT DRUGS

Pharmaceutical products:

None