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

Stem definitionDrug idCAS RN
620 537-21-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • chlorproguanil
dichloro-derivative of chloroguanide; RN given refers to parent cpd; structure
  • Molecular weight: 288.18
  • Formula: C11H15Cl2N5
  • CLOGP: 3.22
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 5
  • TPSA: 83.79
  • ALOGS: -3.55
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.172 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 4.406 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 4.487 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 4.603 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 1.230 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 10.430 % Moderate 0.69
herg hERG pIC50 5.203 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 10.046 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 5.754 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 2.490 % Moderate 0.69
kinase-safety-class ACVR2A,ACVR2B,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 65
kinase-selectivity-class CDK9,DDR1,EIF2AK3,EPHB4,GRK2,MAPK7,PDK4,SIK2,STK33,TEK 10
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 2.780 Moderate 0.69
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.445 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 14.555 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 1.900 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 5.370 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 5.420 % Moderate 0.69
rat-kpuu-brain Rat brain Kpuu 0.108 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 25.468 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 7.450 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 2.690 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 663.743 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:

SourceCodeDescription
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000962 Antimalarials
MeSH PA D000977 Antiparasitic Agents
MeSH PA D000981 Antiprotozoal Agents
CHEBI has role CHEBI:38068 antimalarial

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 11.73 Basic
pKa2 2.36 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0055470 UMLSCUI
CHEBI:135192 CHEBI
CHEMBL1213553 ChEMBL_ID
DB12314 DRUGBANK_ID
C007030 MESH_SUPPLEMENTAL_RECORD_UI
9571037 PUBCHEM_CID
795 INN_ID
8O3249M729 UNII
002944 NDDF

Pharmaceutical products:

None