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

Stem definitionDrug idCAS RN
gabamimetic agents 1263 924-49-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • gamma-Amino-beta-hydroxybutyric acid
  • gabob
  • gabomade
  • gaboril
  • alpha-Hydroxy-GABA
  • gamibetal
  • beta-Hydroxy-GABA
  • buxamine
  • 3-Hydroxy-GABA
  • aminohydroxybutyric acid
  • Molecular weight: 119.12
  • Formula: C4H9NO3
  • CLOGP: -3.97
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 3
  • TPSA: 83.55
  • ALOGS: 0.58
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -2.217 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.016 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 4.406 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 0.632 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 90.160 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 62.240 % High 1
herg hERG pIC50 5.769 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.466 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.548 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 86.560 % High 1
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,IKBKB,ITK,JAK3,MAP2K6,MAP3K21,MAPK10,MAPK7,MAPKAPK2,NTRK1,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 37
kinase-selectivity-class AXL,CDK4,CDK9,CHUK,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,TEK,TGFBR1 11
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 10.471 High 1
mh-clint Mouse hepatocyte intrinsic clearance 1.854 High 1
mppb Mouse plasma protein binding (% unbound) 95 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 4.395 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 89.530 % High 1
rh-clint Rat hepatocyte intrinsic clearance 2.570 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 78.720 % High 1
rppb Rat plasma protein binding (% unbound) 98.970 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 774.462 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
CHEBI has role CHEBI:25212 metabolites

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

DiseaseRelationSNOMED_IDDOID
Epilepsy indication 84757009 DOID:1826




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.58 acidic
pKa2 13.99 acidic
pKa3 9.66 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D00174 KEGG_DRUG
CHEBI:74821 CHEBI
CHEMBL93515 ChEMBL_ID
DB15985 DRUGBANK_ID
236512 RXNORM
006167 NDDF
C0771792 UMLSCUI
2149 PUBCHEM_CID
1ZHM019FLD UNII
1ZHM019FLD INXIGHT DRUGS

Pharmaceutical products:

None