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

Stem definitionDrug idCAS RN
54 103-84-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • acetanilide
  • acetamidobenzene
  • acetanil
  • acetylaniline
  • phenalgene
a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term
  • Molecular weight: 135.17
  • Formula: C8H9NO
  • CLOGP: 1.16
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 29.10
  • ALOGS: -1.53
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.169 Moderate 0.67
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.372 Moderate 0.67
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 89.950 10^-6 cm/s Moderate 0.67
dh-clint Dog hepatocyte intrinsic clearance 8.299 uL/min/10^6 cells Moderate 0.67
herg hERG pIC50 3.453 pIC50 Moderate 0.67
dppb Dog plasma protein binding (% unbound) 76.430 % Moderate 0.67
fcs-ppb Fetal calf serum protein binding (% unbound) 62.180 % Moderate 0.67
hh-clint Human hepatocyte intrinsic clearance 5.164 uL/min/10^6 cells Moderate 0.67
hlm-clint Human liver microsomal intrinsic clearance 9.727 uL/min/mg protein Moderate 0.67
hppb Human plasma protein binding (% unbound) 68.830 % Moderate 0.67
kinase-safety-class ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,MARK4,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK,ULK1 44
kinase-selectivity-class AXL,GRK2,PDK4,TTK 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.778 Moderate 0.67
mh-clint Mouse hepatocyte intrinsic clearance 58.749 Moderate 0.67
mppb Mouse plasma protein binding (% unbound) 85.790 Moderate 0.67
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.344 Moderate 0.67
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 73.140 % Moderate 0.67
rh-clint Rat hepatocyte intrinsic clearance 5.420 uL/min/10^6 cells Moderate 0.67
rh-fuinc Rat hepatocyte fraction unbound in incubation 97.220 % Moderate 0.67
rppb Rat plasma protein binding (% unbound) 68.280 % Moderate 0.67
solubility-dd Solubility at pH 7.4 in DMSO 226.986 uM Moderate 0.67

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:35480 analgesic

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

None

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
Nicotinate phosphoribosyltransferase Enzyme Ki 9 CHEMBL

External reference:

IDSource
4020578 VUID
N0000175353 NUI
162 RXNORM
C0000974 UMLSCUI
CHEBI:28884 CHEBI
CHEMBL269644 ChEMBL_ID
904 PUBCHEM_CID
C508827 MESH_SUPPLEMENTAL_RECORD_UI
SP86R356CC UNII
4020578 VANDF
001604 NDDF
50507004 SNOMEDCT_US

Pharmaceutical products:

None