Substructure SMILES Example: n1cnccc1

adenine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	89	73-24-5

Description:

Molecule	Description
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

Approvals:

Date	Agency	Company	Orphan
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:

Source	Code	Description
CHEBI has role	CHEBI:75771	Mus musculus metabolites
CHEBI has role	CHEBI:75772	S. cerevisiae metabolites
CHEBI has role	CHEBI:76971	Escherichia coli metabolites
CHEBI has role	CHEBI:77746	Homo sapiens metabolite
CHEBI has role	CHEBI:83056	Daphnia magna metabolites

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 level	Dissociation constant	Type (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:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Xanthine dehydrogenase/oxidase	Enzyme	P47989	XDH_HUMAN		IC50	4.96		CHEMBL
Leucine-rich repeat serine/threonine-protein kinase 2	Kinase	Q5S007	LRRK2_HUMAN		Ki	5.17		CHEMBL
Phosphatidylinositol 4-kinase, PI4K	Kinase	P42356 Q8TCG2 Q9BTU6 Q9UBF8	PI4KA_HUMAN P4K2B_HUMAN P4K2A_HUMAN PI4KB_HUMAN		Ki	4.07		CHEMBL

External reference:

ID	Source
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
70203000	SNOMEDCT_US
4018883	VANDF
005667	NDDF

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
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	0942-9394	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
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
Leukotrap WB System - AS3	HUMAN PRESCRIPTION DRUG LABEL	2	53157-106	SOLUTION	0.03 g	INTRAVENOUS	NDA	11 sections
Nutricel Additive Solution - AS-3	HUMAN PRESCRIPTION DRUG LABEL	2	53157-122	SOLUTION	0.03 g	INTRAVENOUS	NDA	10 sections
Leukotrap - AS-3 Solution	HUMAN PRESCRIPTION DRUG LABEL	2	53157-124	SOLUTION	0.03 g	INTRAVENOUS	NDA	10 sections
CPDA-1 Blood Collection System	HUMAN PRESCRIPTION DRUG LABEL	5	53157-130	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
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
Leukotrap - AS-3	HUMAN PRESCRIPTION DRUG LABEL	2	53157-460	SOLUTION	0.03 g	INTRAVENOUS	NDA	2 sections