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

Stem definitionDrug idCAS RN
immunosuppressants, rapamycin derivatives 2949 221877-54-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ABT-578
  • ABT578
  • zotarolimus
synthetic analog of rapamycin
  • Molecular weight: 966.23
  • Formula: C52H79N5O12
  • CLOGP: 7.55
  • LIPINSKI: 3
  • HAC: 17
  • HDO: 2
  • TPSA: 218.80
  • ALOGS: -5.33
  • ROTB: 7

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 1.30 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.67 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.26 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 35 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.150 High 0.83
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.458 High 0.83
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 28.184 10^-6 cm/s High 0.83
dh-clint Dog hepatocyte intrinsic clearance 95.940 uL/min/10^6 cells High 0.83
dppb Dog plasma protein binding (% unbound) 0.880 % High 0.83
fcs-ppb Fetal calf serum protein binding (% unbound) 3.310 % High 0.83
herg hERG pIC50 4.576 pIC50 High 0.83
hh-clint Human hepatocyte intrinsic clearance 36.728 uL/min/10^6 cells High 0.83
hlm-clint Human liver microsomal intrinsic clearance 245.471 uL/min/mg protein High 0.83
hppb Human plasma protein binding (% unbound) 1.420 % High 0.83
kinase-safety-class ACVR2B,AXL,BRAF,CDK5,EIF2AK3,GRK2,ITK,PDK1,PDK2,PDK4,PRKDC 11
kinase-selectivity-class GRK2 1
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 46.238 High 0.89
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.775 High 0.83
mh-clint Mouse hepatocyte intrinsic clearance 48.641 High 0.83
mppb Mouse plasma protein binding (% unbound) 0.570 High 0.83
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 36.308 High 0.83
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 High 0.89
pppb Pig plasma protein binding (% unbound) 1.310 % High 0.83
rat-kpuu-brain Rat brain Kpuu 0.013 % High 0.84
rh-clint Rat hepatocyte intrinsic clearance 102.802 uL/min/10^6 cells High 0.83
rh-fuinc Rat hepatocyte fraction unbound in incubation 5.380 % High 0.83
rppb Rat plasma protein binding (% unbound) 1.450 % High 0.83
solubility-dd Solubility at pH 7.4 in DMSO 16.255 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 10.5 acidic

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
Peptidyl-prolyl cis-trans isomerase FKBP1A Enzyme INHIBITOR IC50 8.55 IUPHAR
Serine/threonine-protein kinase mTOR Kinase IC50 8.48 CHEMBL

External reference:

IDSource
D06669 KEGG_DRUG
C1700035 UMLSCUI
CHEBI:135897 CHEBI
CHEMBL219410 ChEMBL_ID
C489443 MESH_SUPPLEMENTAL_RECORD_UI
7974 IUPHAR_LIGAND_ID
8644 INN_ID
H4GXR80IZE UNII
9876378 PUBCHEM_CID
429803003 SNOMEDCT_US
429804009 SNOMEDCT_US
H4GXR80IZE INXIGHT DRUGS

Pharmaceutical products:

None