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

Stem definitionDrug idCAS RN
4311 6818-37-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • olaflur
  • amine fluoride
  • stearyl trihydroxyethyl propylenediamine dihydrofluoride
cariostatic agent
  • Molecular weight: 458.77
  • Formula: C27H58N2O3
  • CLOGP: 8.57
  • LIPINSKI: 1
  • HAC: 5
  • HDO: 3
  • TPSA: 67.17
  • ALOGS: -5.43
  • ROTB: 27

Drug dosage:

DoseUnitRoute
1.10 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.556 High 0.95
caco2-efflux Caco-2 efflux ratio (BA/AB) 30.974 High 0.95
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.050 10^-6 cm/s High 0.95
dh-clint Dog hepatocyte intrinsic clearance 52.240 uL/min/10^6 cells High 0.95
dppb Dog plasma protein binding (% unbound) 0.030 % High 0.95
fcs-ppb Fetal calf serum protein binding (% unbound) 0.440 % High 0.95
herg hERG pIC50 5.244 pIC50 High 0.95
hh-clint Human hepatocyte intrinsic clearance 14.322 uL/min/10^6 cells High 0.95
hlm-clint Human liver microsomal intrinsic clearance 24.547 uL/min/mg protein High 0.95
hppb Human plasma protein binding (% unbound) 0.150 % High 0.95
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 58
kinase-selectivity-class ACVRL1,AKT2,AKT3,AXL,CAMK2A,CAMK2D,CDK4,CHEK1,EIF2AK3,EPHB4,FLT4,GAK,INSR,LRRK2,MAP2K6,MAP3K7,MELK,MTOR,NUAK1,PDK4,PLK1,PLK2,PLK3,PLK4,PRKCD,PTK2,SIK2,STK33,TEK,TTK 30
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 10.069 High 0.95
mh-clint Mouse hepatocyte intrinsic clearance 35.237 High 0.95
mppb Mouse plasma protein binding (% unbound) 0.050 High 0.95
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.690 High 0.95
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.260 % High 0.95
rh-clint Rat hepatocyte intrinsic clearance 16.444 uL/min/10^6 cells High 0.95
rh-fuinc Rat hepatocyte fraction unbound in incubation 0.010 % High 0.95
rppb Rat plasma protein binding (% unbound) 0.120 % High 0.95
solubility-dd Solubility at pH 7.4 in DMSO 1.422 uM High 0.95

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 A01AA03 ALIMENTARY TRACT AND METABOLISM
STOMATOLOGICAL PREPARATIONS
STOMATOLOGICAL PREPARATIONS
Caries prophylactic agents
MeSH PA D002327 Cariostatic Agents
MeSH PA D020011 Protective Agents

Related Drugs by ATC class:

A01AA Caries prophylactic agents 3 drugs

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 9.37 Basic
pKa2 6.81 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D05241 KEGG_DRUG
C0772032 UMLSCUI
CHEBI:135940 CHEBI
CHEMBL2110901 ChEMBL_ID
CHEMBL2106575 ChEMBL_ID
DB13290 DRUGBANK_ID
C495399 MESH_SUPPLEMENTAL_RECORD_UI
3375 INN_ID
8NY9L8837D UNII
23257 PUBCHEM_CID
2712235 RXNORM
006685 NDDF

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Nobaton 1% Alpha Hydroxy Acid Ampoule HUMAN OTC DRUG LABEL 2 73927-0008 OINTMENT 0.10 g DENTAL unapproved drug other 12 sections
Nobaton 1.5%Fine Salt ampoule HUMAN OTC DRUG LABEL 2 73927-0009 OINTMENT 0.10 g DENTAL unapproved drug other 12 sections