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

Stem definitionDrug idCAS RN
diazepam derivatives 809 2886-65-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • desalkylflurazepam
  • dealkylflurazepam
  • descarbethoxyloflazepate
  • norfludiazepam
  • norflurazepam
  • norflutoprazepam
  • Molecular weight: 288.71
  • Formula: C15H10ClFN2O
  • CLOGP: 2.81
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 41.46
  • ALOGS: -4.19
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 0.50 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 1.21 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.872 Moderate 0.72
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.520 Moderate 0.72
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 91.201 10^-6 cm/s Moderate 0.72
dh-clint Dog hepatocyte intrinsic clearance 25.351 uL/min/10^6 cells Moderate 0.72
dppb Dog plasma protein binding (% unbound) 7.580 % Moderate 0.72
fcs-ppb Fetal calf serum protein binding (% unbound) 21.090 % Moderate 0.72
herg hERG pIC50 4.428 pIC50 Moderate 0.72
hh-clint Human hepatocyte intrinsic clearance 1.722 uL/min/10^6 cells Moderate 0.72
hlm-clint Human liver microsomal intrinsic clearance 4.467 uL/min/mg protein Moderate 0.72
hppb Human plasma protein binding (% unbound) 8.340 % Moderate 0.72
kinase-safety-class EIF2AK3,PDK1,PDK2,PDK4 4
kinase-selectivity-class GRK2 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.159 Moderate 0.72
mh-clint Mouse hepatocyte intrinsic clearance 41.020 Moderate 0.72
mppb Mouse plasma protein binding (% unbound) 12.500 Moderate 0.72
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.406 Moderate 0.72
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 11.650 % Moderate 0.72
rh-clint Rat hepatocyte intrinsic clearance 29.854 uL/min/10^6 cells Moderate 0.72
rh-fuinc Rat hepatocyte fraction unbound in incubation 64.060 % Moderate 0.72
rppb Rat plasma protein binding (% unbound) 10.130 % Moderate 0.72
solubility-dd Solubility at pH 7.4 in DMSO 52.966 uM Moderate 0.72

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1968 YEAR INTRODUCED

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
CHEBI has role CHEBI:35474 anti-anxiety agents
CHEBI has role CHEBI:35623 anticonvulsants
CHEBI has role CHEBI:35717 hypnotics
CHEBI has role CHEBI:49103 drug metabolites
CHEBI has role CHEBI:91016 GABAA receptor agonists

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 11.63 acidic
pKa2 2.85 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
GABA-A receptor alpha-1/beta-2/gamma-2 Ion channel IC50 8.70 WOMBAT-PK

External reference:

IDSource
C0484961 UMLSCUI
CHEBI:143439 CHEBI
CHEMBL1201372 ChEMBL_ID
115558004 SNOMEDCT_US
4540 PUBCHEM_CID
C020965 MESH_SUPPLEMENTAL_RECORD_UI
X9U41NXR6M UNII

Pharmaceutical products:

None