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

Stem definitionDrug idCAS RN
local anaesthetics 3403 536-25-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • aminobenz
  • methyl 3-amino-4-hydroxybenzoate
  • orthoderm
  • Methyl m-amino-p-hydroxybenzoate
  • orthocaine
  • Molecular weight: 167.16
  • Formula: C8H9NO3
  • CLOGP: 1.28
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 2
  • TPSA: 72.55
  • ALOGS: -1.66
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.840 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.475 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 31.550 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 47.206 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 71.570 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 55.900 % Moderate 0.69
herg hERG pIC50 3.963 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 199.067 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 29.174 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 42.230 % Moderate 0.69
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 81
kinase-selectivity-class ACVR2B,AXL,DDR1,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK12,MAPK7,MAPK8,MARK4,PRKDC,STK33,TEK,TTK 15
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.193 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 401.791 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 62.990 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.982 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 52.530 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 189.671 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 96.270 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 48.910 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 772.681 uM Moderate 0.69

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:

None

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

DiseaseRelationSNOMED_IDDOID
Induratio penis plastica indication 1335005 DOID:8616
Pemphigus indication 65172003 DOID:9182
Systemic sclerosis indication 89155008 DOID:418
Morphea indication 201049004
Dermatomyositis indication 396230008 DOID:10223
Anorexia nervosa contraindication 56882008 DOID:8689
Kidney disease contraindication 90708001 DOID:557




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.52 acidic
pKa2 4.04 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
CHEBI:34904 CHEBI
10815 PUBCHEM_CID
JK16YI13QK UNII

Pharmaceutical products:

None