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

Stem definitionDrug idCAS RN
1262 56-12-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • GABA
  • 4-aminobutanoic acid
  • piperidic acid
  • 4-aminobutyric acid
  • gaballon
  • aminalon
  • aminobutyric acid
  • .GAMMA.-AMINOBUTYRIC ACID
  • gamma-Aminobutyric Acid
The most common inhibitory neurotransmitter in the central nervous system.
  • Molecular weight: 103.12
  • Formula: C4H9NO2
  • CLOGP: -2.77
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 63.32
  • ALOGS: 0.55
  • ROTB: 3

Drug dosage:

DoseUnitRoute
1 g O
1 g P

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -3.459 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.199 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.750 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 1.574 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 96.260 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 86.560 % High 1
herg hERG pIC50 5.278 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.854 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 6.637 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 96.970 % High 1
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ULK1,ZAP70 53
kinase-selectivity-class AXL,BRAF,CAMK2B,CAMK2D,CDK4,EIF2AK3,EPHB4,MAP2K6,MAPK7,MELK,PAK4,PRKCD,SIK2,STK33,SYK,TEK 16
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.254 High 1
mh-clint Mouse hepatocyte intrinsic clearance 0.327 High 1
mppb Mouse plasma protein binding (% unbound) 98.800 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.753 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 98.780 % High 1
rh-clint Rat hepatocyte intrinsic clearance 1.102 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 76.850 % High 1
rppb Rat plasma protein binding (% unbound) 99.710 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 587.489 uM High 1

Approvals:

DateAgencyCompanyOrphan
None FDA

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 N03AG03 NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Fatty acid derivatives
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018682 GABA Agents
CHEBI has role CHEBI:25512 neurotransmitter
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35623 anticonvulsant
CHEBI has role CHEBI:62488 signalling molecule
CHEBI has role CHEBI:75772 <em>Saccharomyces cerevisiae </em> metabolite
CHEBI has role CHEBI:77746 human metabolite

Related Drugs by ATC class:

N03AG Fatty acid derivatives 5 drugs
progabidetiagabinevalproic acidvalpromidevigabatrin

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 3.87 acidic
pKa2 10.45 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
Sodium- and chloride-dependent GABA transporter 1 Transporter IC50 5.30 CHEMBL
Gamma-aminobutyric acid receptor subunit rho-1 Ion channel EC50 6.57 CHEMBL
Sodium- and chloride-dependent GABA transporter 3 Transporter IC50 5.15 CHEMBL
Sodium- and chloride-dependent betaine transporter Transporter IC50 4.44 CHEMBL
Platelet glycoprotein VI Membrane receptor Kd 7.39 CHEMBL
Sodium- and chloride-dependent GABA transporter 2 Transporter IC50 4.58 CHEMBL
Sodium- and chloride-dependent GABA transporter 1 Transporter IC50 5.59 CHEMBL
Sodium- and chloride-dependent GABA transporter 1 Transporter IC50 5.14 CHEMBL
Gamma-aminobutyric acid receptor subunit alpha-1 Ion channel EC50 5 CHEMBL
Gamma-aminobutyric acid receptor subunit alpha-2 Ion channel IC50 7.66 CHEMBL
Sodium- and chloride-dependent GABA transporter 3 Transporter IC50 5.09 CHEMBL
Sodium- and chloride-dependent GABA transporter 2 Transporter IC50 5.30 CHEMBL
Sodium- and chloride-dependent GABA transporter 2 Transporter IC50 4.56 CHEMBL
Gamma-aminobutyric acid receptor subunit gamma-1 Ion channel IC50 7.48 CHEMBL
Gamma-aminobutyric acid type B receptor subunit 1 GPCR AGONIST IC50 4.60 IUPHAR

External reference:

IDSource
4034308 VUID
N0000191506 NUI
4034308 VANDF
C0016904 UMLSCUI
ABU PDB_CHEM_ID
CHEMBL96 ChEMBL_ID
D000613 MESH_DESCRIPTOR_UI
119 PUBCHEM_CID
DB02530 DRUGBANK_ID
4617 RXNORM
006466 NDDF
259100002 SNOMEDCT_US
CHEBI:16865 CHEBI
1067 IUPHAR_LIGAND_ID
D005680 MESH_DESCRIPTOR_UI
2ACZ6IPC6I UNII

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Gongjinhyang Qi and Jin Eye HUMAN OTC DRUG LABEL 1 53208-500 CREAM 0.02 mL TOPICAL unapproved drug other 10 sections