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

Stem definitionDrug idCAS RN
angiotensin-converting enzyme inhibitors 2474 83647-97-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • spirapril
  • spirapril hydrochloride
  • renormax
  • spirapril HCl
  • Molecular weight: 466.61
  • Formula: C22H30N2O5S2
  • CLOGP: 1.05
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 2
  • TPSA: 95.94
  • ALOGS: -4.20
  • ROTB: 10
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
6 mg O

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.43 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 11.90 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 8.60 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 50 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.515 Moderate 0.66
caco2-efflux Caco-2 efflux ratio (BA/AB) 12.388 Moderate 0.66
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 3.177 10^-6 cm/s Moderate 0.66
dh-clint Dog hepatocyte intrinsic clearance 8.511 uL/min/10^6 cells Moderate 0.66
dppb Dog plasma protein binding (% unbound) 28.050 % Moderate 0.66
fcs-ppb Fetal calf serum protein binding (% unbound) 30.680 % Moderate 0.66
herg hERG pIC50 4.239 pIC50 Moderate 0.66
hh-clint Human hepatocyte intrinsic clearance 12.823 uL/min/10^6 cells Moderate 0.66
hlm-clint Human liver microsomal intrinsic clearance 40.832 uL/min/mg protein Moderate 0.66
hppb Human plasma protein binding (% unbound) 24.070 % Moderate 0.66
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 22
kinase-selectivity-class AXL,BRAF,EPHB4,GRK2,MAP2K6 5
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 1.303 Moderate 0.65
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.965 Moderate 0.66
mh-clint Mouse hepatocyte intrinsic clearance 105.196 Moderate 0.66
mppb Mouse plasma protein binding (% unbound) 16.160 Moderate 0.66
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 8.453 Moderate 0.66
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 High 1
pppb Pig plasma protein binding (% unbound) 25.310 % Moderate 0.66
rat-kpuu-brain Rat brain Kpuu 0.008 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 103.276 uL/min/10^6 cells Moderate 0.66
rh-fuinc Rat hepatocyte fraction unbound in incubation 83.780 % Moderate 0.66
rppb Rat plasma protein binding (% unbound) 14.490 % Moderate 0.66
solubility-dd Solubility at pH 7.4 in DMSO 862.979 uM Moderate 0.66

Approvals:

DateAgencyCompanyOrphan
Dec. 29, 1994 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
ATC C09AA11 CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ACE INHIBITORS, PLAIN
ACE inhibitors, plain
MeSH PA D000806 Angiotensin-Converting Enzyme Inhibitors
MeSH PA D000959 Antihypertensive Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D011480 Protease Inhibitors
CHEBI has role CHEBI:35457 EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35674 antihypertensive agent
CHEBI has role CHEBI:50266 prodrug
CHEBI has role CHEBI:49103 drug metabolite

Related Drugs by ATC class:

C09AA ACE inhibitors, plain 15 drugs
benazeprilcaptoprilcilazaprildelaprilenalaprilfosinoprilimidaprillisinoprilmoexiprilperindoprilquinaprilramipril show all 15 →

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

DiseaseRelationSNOMED_IDDOID
Hypertensive disorder indication 38341003 DOID:10763




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.99 acidic
pKa2 5.23 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
Angiotensin-converting enzyme Enzyme INHIBITOR IC50 9.10 CHEMBL CHEMBL
Angiotensin-converting enzyme Enzyme IC50 7.17 CHEMBL

External reference:

IDSource
D03765 KEGG_DRUG
4020897 VANDF
C0075007 UMLSCUI
CHEBI:135756 CHEBI
CHEMBL431 ChEMBL_ID
CHEMBL1200831 ChEMBL_ID
DB01348 DRUGBANK_ID
C052555 MESH_SUPPLEMENTAL_RECORD_UI
6575 IUPHAR_LIGAND_ID
6006 INN_ID
94841-17-5 SECONDARY_CAS_RN
96U2K78I3V UNII
5311447 PUBCHEM_CID
36908 RXNORM
006843 NDDF
006844 NDDF
713473008 SNOMEDCT_US
C0172689 UMLSCUI
CHEMBL579 ChEMBL_ID
83602-05-5 SECONDARY_CAS_RN
3033702 PUBCHEM_CID
6576 IUPHAR_LIGAND_ID
6357 INN_ID
C076884 MESH_SUPPLEMENTAL_RECORD_UI
QS56V5Y7EC UNII
96U2K78I3V INXIGHT DRUGS
QS56V5Y7EC INXIGHT DRUGS

Pharmaceutical products:

None