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

Stem definitionDrug idCAS RN
beta-adrenoreceptor antagonists 3079 34919-98-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cetamolol
  • cetamolol hydrochloride
  • cetamolol HCl
  • Molecular weight: 310.39
  • Formula: C16H26N2O4
  • CLOGP: 0.48
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 3
  • TPSA: 79.82
  • ALOGS: -2.68
  • ROTB: 9

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.986 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.581 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.567 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 2.612 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 94.350 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 92.670 % High 1
herg hERG pIC50 4.210 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.832 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.048 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 93.920 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK 42
kinase-selectivity-class AXL,PDK4 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.938 High 1
mh-clint Mouse hepatocyte intrinsic clearance 9.977 High 1
mppb Mouse plasma protein binding (% unbound) 94.440 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.516 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 96.690 % High 1
rh-clint Rat hepatocyte intrinsic clearance 5.164 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 94.870 % High 1
rppb Rat plasma protein binding (% unbound) 92.810 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 966.051 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:

None

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 12.93 acidic
pKa2 9.31 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D03449 KEGG_DRUG
C0055143 UMLSCUI
CHEBI:135322 CHEBI
CHEMBL156885 ChEMBL_ID
CHEMBL2105989 ChEMBL_ID
C038931 MESH_SUPPLEMENTAL_RECORD_UI
53698 PUBCHEM_CID
5144 INN_ID
77590-95-5 SECONDARY_CAS_RN
Z0VD1633O8 UNII
008148 NDDF
008149 NDDF

Pharmaceutical products:

None