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

Stem definitionDrug idCAS RN
89 73-24-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • adenine
  • 9H-Purin-6-amine
  • vitamin B4
  • adeninimine
A purine base and a fundamental unit of ADENINE NUCLEOTIDES.
  • Molecular weight: 135.13
  • Formula: C5H5N5
  • CLOGP: -0.15
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 2
  • TPSA: 80.48
  • ALOGS: -1.07
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.017 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.483 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 4.508 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 1.222 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 69.610 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 62.290 % High 1
herg hERG pIC50 4.112 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 1.950 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.802 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 50.170 % High 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.119 High 1
mh-clint Mouse hepatocyte intrinsic clearance 2.655 High 1
mppb Mouse plasma protein binding (% unbound) 86.240 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.432 High 1
pppb Pig plasma protein binding (% unbound) 76.810 % High 1
rh-clint Rat hepatocyte intrinsic clearance 1.112 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 92.980 % High 1
rppb Rat plasma protein binding (% unbound) 73.320 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 843.335 uM High 1

Approvals:

DateAgencyCompanyOrphan
April 8, 2021 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
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:75772 <em>Saccharomyces cerevisiae </em> metabolite
CHEBI has role CHEBI:76971 <em>Escherichia coli</em> metabolite
CHEBI has role CHEBI:77746 human metabolite
CHEBI has role CHEBI:83056 <em>Daphnia magna</em> metabolite

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 10.64 acidic
pKa2 5.16 Basic
pKa3 0.18 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
Xanthine dehydrogenase/oxidase Enzyme IC50 4.96 CHEMBL
Leucine-rich repeat serine/threonine-protein kinase 2 Kinase Ki 5.17 CHEMBL
Phosphatidylinositol 4-kinase, PI4K Kinase Ki 4.07 CHEMBL

External reference:

IDSource
4018883 VUID
N0000147177 NUI
D00034 KEGG_DRUG
290 RXNORM
C0001407 UMLSCUI
CHEBI:16708 CHEBI
ADE PDB_CHEM_ID
CHEMBL226345 ChEMBL_ID
190 PUBCHEM_CID
DB00173 DRUGBANK_ID
CHEMBL1797130 ChEMBL_ID
D000225 MESH_DESCRIPTOR_UI
4788 IUPHAR_LIGAND_ID
JAC85A2161 UNII
4018883 VANDF
005667 NDDF
70203000 SNOMEDCT_US
JAC85A2161 INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6305 SOLUTION 17.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6307 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6308 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6312 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 Human Prescription Drug Label 5 0942-6316 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6320 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6322 SOLUTION 17.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-6326 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-9393 SOLUTION 19.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-9394 SOLUTION 17.30 mg INTRAVENOUS NDA 2 sections
CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 0942-9398 SOLUTION 17.30 mg INTRAVENOUS NDA 2 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-824 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-826 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-828 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-832 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-833 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
Additive Formula 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-834 SOLUTION 0.03 g INTRAVENOUS NDA 15 sections
AS 3 HUMAN PRESCRIPTION DRUG LABEL 6 14537-966 INJECTION, SOLUTION 0.03 g INTRAVENOUS NDA 5 sections
Rejuvesol HUMAN PRESCRIPTION DRUG LABEL 5 23731-7000 SOLUTION 0.03 g EXTRACORPOREAL NDA 11 sections
Nutricel Additive Solution - AS-3 HUMAN PRESCRIPTION DRUG LABEL 2 53157-101 SOLUTION 0.03 g INTRAVENOUS NDA 10 sections
Nutricel Additive Solution - AS-3 HUMAN PRESCRIPTION DRUG LABEL 2 53157-122 SOLUTION 0.03 g INTRAVENOUS NDA 10 sections
Leukotrap WB System HUMAN PRESCRIPTION DRUG LABEL 5 53157-136 SOLUTION 0.02 g INTRAVENOUS NDA 9 sections
Leukotrap WB System HUMAN PRESCRIPTION DRUG LABEL 5 53157-136 SOLUTION 0.02 g INTRAVENOUS NDA 9 sections
Nutricel Additive System - AS3 HUMAN PRESCRIPTION DRUG LABEL 2 53157-AS3 SOLUTION 0.03 g INTRAVENOUS NDA 11 sections
TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) HUMAN PRESCRIPTION DRUG LABEL 5 53877-001 SOLUTION 0.28 g INTRAVENOUS NDA 7 sections
TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) HUMAN PRESCRIPTION DRUG LABEL 5 53877-001 SOLUTION 0.28 g INTRAVENOUS NDA 7 sections
TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) HUMAN PRESCRIPTION DRUG LABEL 5 53877-001 SOLUTION 0.28 g INTRAVENOUS NDA 7 sections
TERUFLEX Blood Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) for Collection of 450mL of Blood HUMAN PRESCRIPTION DRUG LABEL 5 53877-108 SOLUTION 0.28 g INTRAVENOUS NDA 10 sections
TERUFLEX BLOOD with Diversion Blood Sampling Arm 70 mL CPDA-1 HUMAN PRESCRIPTION DRUG LABEL 5 53877-109 SOLUTION 0.28 g INTRAVENOUS NDA 10 sections
teruflex blood bag system with diversion blood sampling arm 70 ml cpda-1 HUMAN PRESCRIPTION DRUG LABEL 5 53877-110 SOLUTION 0.28 g INTRAVENOUS NDA 10 sections