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

Stem definitionDrug idCAS RN
611 773-76-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • chloroxine
  • chlofucid
  • chloroxyquinoline
  • clofuzid
  • dichlorohydroxyquinoline
  • dichloroquinolinol
  • dichloroxin
  • endiaron
  • quixalin
  • quinolor
  • Molecular weight: 214.05
  • Formula: C9H5Cl2NO
  • CLOGP: 3.34
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 33.12
  • ALOGS: -3.19
  • ROTB: 0

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 89 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.238 Moderate 0.74
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.296 Moderate 0.74
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 41.115 10^-6 cm/s Moderate 0.74
dh-clint Dog hepatocyte intrinsic clearance 216.272 uL/min/10^6 cells Moderate 0.74
dppb Dog plasma protein binding (% unbound) 0.440 % Moderate 0.74
fcs-ppb Fetal calf serum protein binding (% unbound) 0.900 % Moderate 0.74
herg hERG pIC50 4.470 pIC50 Moderate 0.74
hh-clint Human hepatocyte intrinsic clearance 132.130 uL/min/10^6 cells Moderate 0.74
hlm-clint Human liver microsomal intrinsic clearance 26.915 uL/min/mg protein Moderate 0.74
hppb Human plasma protein binding (% unbound) 0.520 % Moderate 0.74
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GSK3B,IKBKB,ITK,JAK2,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 49
kinase-selectivity-class ACVR2B,AXL,BRAF,EIF2AK3,GRK2,PDK4,PIK3CB,PIK3CD 8
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.308 Moderate 0.74
mh-clint Mouse hepatocyte intrinsic clearance 576.766 Moderate 0.74
mppb Mouse plasma protein binding (% unbound) 1.100 Moderate 0.74
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.092 Moderate 0.74
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.760 % Moderate 0.74
rh-clint Rat hepatocyte intrinsic clearance 236.592 uL/min/10^6 cells Moderate 0.74
rh-fuinc Rat hepatocyte fraction unbound in incubation 24.360 % Moderate 0.74
rppb Rat plasma protein binding (% unbound) 0.440 % Moderate 0.74
solubility-dd Solubility at pH 7.4 in DMSO 8.279 uM Moderate 0.74

Approvals:

DateAgencyCompanyOrphan
Oct. 19, 1976 FDA

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
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000900 Anti-Bacterial Agents
MeSH PA D000935 Antifungal Agents
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:59010 antiseborrheic
CHEBI has role CHEBI:86327 antifungal drug

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

DiseaseRelationSNOMED_IDDOID
Seborrheic dermatitis indication 50563003 DOID:8741
Pityriasis simplex indication 200767005
Denuded skin contraindication 418242004




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.75 acidic
pKa2 2.74 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
Arachidonate 5-lipoxygenase Enzyme IC50 5.44 CHEMBL
Arachidonate 15-lipoxygenase Enzyme IC50 5.62 CHEMBL
Arachidonate 12-lipoxygenase, 12S-type Enzyme IC50 5.72 CHEMBL
Matrix metalloproteinase-14 Enzyme Kd 5.62 CHEMBL
Matrix metalloproteinase-9 Enzyme IC50 4.80 CHEMBL
Collagenase 3 Enzyme IC50 4.71 CHEMBL
Arachidonate 15-lipoxygenase, type II Enzyme IC50 4.55 CHEMBL
Botulinum neurotoxin type A Enzyme IC50 4.94 CHEMBL
Beta-lactamase NDM-1 Enzyme IC50 5.31 CHEMBL
Replicase polyprotein 1ab Enzyme Kd 5.34 CHEMBL

External reference:

IDSource
4018664 VUID
N0000146975 NUI
D03472 KEGG_DRUG
20875 RXNORM
C0055461 UMLSCUI
CHEMBL1200596 ChEMBL_ID
DB01243 DRUGBANK_ID
CHEMBL3833358 ChEMBL_ID
2722 PUBCHEM_CID
C004357 MESH_SUPPLEMENTAL_RECORD_UI
2I8BD50I8B UNII
4422 MMSL
003147 NDDF
126148000 SNOMEDCT_US
424004006 SNOMEDCT_US
4018664 VANDF

Pharmaceutical products:

None