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

Stem definitionDrug idCAS RN
atropine derivatives 3292 180468-34-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • altropane
a SPECT imaging agent for viewing dopamine transporter sites
  • Molecular weight: 429.27
  • Formula: C18H21FINO2
  • CLOGP: 4.51
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 29.54
  • ALOGS: -4.72
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.195 High 0.83
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.665 High 0.83
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 29.785 10^-6 cm/s High 0.83
dh-clint Dog hepatocyte intrinsic clearance 61.660 uL/min/10^6 cells High 0.83
dppb Dog plasma protein binding (% unbound) 7.050 % High 0.83
fcs-ppb Fetal calf serum protein binding (% unbound) 19.200 % High 0.83
herg hERG pIC50 5.955 pIC50 High 0.83
hh-clint Human hepatocyte intrinsic clearance 26.669 uL/min/10^6 cells High 0.83
hlm-clint Human liver microsomal intrinsic clearance 122.180 uL/min/mg protein High 0.83
hppb Human plasma protein binding (% unbound) 7.130 % High 0.83
kinase-safety-class ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 42
kinase-selectivity-class AXL,EIF2AK3,GRK2 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.706 High 0.83
mh-clint Mouse hepatocyte intrinsic clearance 263.633 High 0.83
mppb Mouse plasma protein binding (% unbound) 6.930 High 0.83
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.871 High 0.83
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 14.690 % High 0.83
rh-clint Rat hepatocyte intrinsic clearance 227.510 uL/min/10^6 cells High 0.83
rh-fuinc Rat hepatocyte fraction unbound in incubation 39.290 % High 0.83
rppb Rat plasma protein binding (% unbound) 4.490 % High 0.83
solubility-dd Solubility at pH 7.4 in DMSO 212.814 uM High 0.83

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 6.76 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0663483 UMLSCUI
CHEBI:135696 CHEBI
CHEMBL4301492 ChEMBL_ID
DB04947 DRUGBANK_ID
C102282 MESH_SUPPLEMENTAL_RECORD_UI
1Q4092099O UNII
6440180 PUBCHEM_CID

Pharmaceutical products:

None