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

Stem definitionDrug idCAS RN
systemic antifungal agents, miconazole derivatives 3309 27523-40-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • isoconazole
  • isoconazole nitrate
  • Molecular weight: 416.12
  • Formula: C18H14Cl4N2O
  • CLOGP: 5.81
  • LIPINSKI: 1
  • HAC: 3
  • HDO: 0
  • TPSA: 27.05
  • ALOGS: -5.70
  • ROTB: 6

Drug dosage:

DoseUnitRoute
0.60 g V

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.884 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.918 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 36.308 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 54.450 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 0.180 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 0.750 % High 1
herg hERG pIC50 5.808 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 102.094 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 286.418 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 0.370 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK 49
kinase-selectivity-class AKT3,AXL,BRAF,EIF2AK3,EPHB4,ERBB2,GRK2,MAPK7,PDK4,PIK3CB,PIK3CD,SIK2,SIK3 13
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.735 High 1
mh-clint Mouse hepatocyte intrinsic clearance 140.929 High 1
mppb Mouse plasma protein binding (% unbound) 0.190 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.917 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.900 % High 1
rh-clint Rat hepatocyte intrinsic clearance 187.499 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 3.310 % High 1
rppb Rat plasma protein binding (% unbound) 0.190 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 12.589 uM High 1

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Fungal infection 18.88 18.04 3 3 19719 42601610

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC D01AC05 DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Imidazole and triazole derivatives
ATC G01AF07 GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Imidazole derivatives
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000935 Antifungal Agents
CHEBI has role CHEBI:36047 antibacterial drug

Related Drugs by ATC class:

D01AC Imidazole and triazole derivatives 20 drugs
G01AF Imidazole derivatives 16 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 6.49 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
Steroid 17-alpha-hydroxylase/17,20 lyase Enzyme Ki 6.21 CHEMBL
Indoleamine 2,3-dioxygenase 1 Enzyme IC50 4.64 CHEMBL

External reference:

IDSource
D01480 KEGG_DRUG
C0063953 UMLSCUI
CHEBI:82865 CHEBI
CHEMBL1571863 ChEMBL_ID
DB08943 DRUGBANK_ID
C020382 MESH_SUPPLEMENTAL_RECORD_UI
3760 PUBCHEM_CID
3505 INN_ID
24168-96-5 SECONDARY_CAS_RN
GRI7WFR424 UNII
203157 RXNORM
003740 NDDF
003986 NDDF
350201001 SNOMEDCT_US
418371001 SNOMEDCT_US
712726005 SNOMEDCT_US

Pharmaceutical products:

None