EMNPD

NPs Basic Information
NPs Species Source
NPs Content
NPs Biological Activity
NPs Physi-Chem Properties
NPs ADMET Properties
Similar NPs and Drugs

NPs Basic Information

Download MOL File	Name	Uric Acid
	Molecular Formula	C5H4N4O3
	IUPAC Name*	7,9-dihydro-3H-purine-2,6,8-trione
	SMILES	C12=C(NC(=O)N1)NC(=O)NC2=O
	InChI	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
	InChIKey	LEHOTFFKMJEONL-UHFFFAOYSA-N
	Synonyms	uric acid; 69-93-2; urate; Lithic acid; 2,6,8-trioxypurine; 2,6,8-trihydroxypurine; 8-hydroxyxanthine; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 2,6,8-Trioxopurine; 1H-Purine-2,6,8-triol; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; Purine-2,6,8(1H,3H,9H)-trione; 7,9-dihydro-3H-purine-2,6,8-trione; Uricum acidum; AI3-15432; 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; NSC 3975; 1H-purine-2,6,8(3H,7H,9H)-trione; NSC-3975; MFCD00005712; Idelalisib metabolite m54; CHEMBL792; 9H-purine-2,6,8-triol; CHEBI:17775; 268B43MJ25; 2,6-dihydroxy-7,9-dihydropurin-8-one; NCGC00181032-01; 8-Hydroxy-3,9-Dihydro-1h-Purine-2,6-Dione; 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate; trioxopurine; URC; EINECS 200-720-7; Lithate; hypoxanthinediol; uric-acid; UNII-268B43MJ25; 2,8-Trioxopurine; 2,8-Trioxypurine; 8HX; Uric acid (8CI); 2,8-Trihydroxypurine; 1l5s; 2,6,8-trihydroxypurin; Purine-2,6,8-triol; 1H-Purine-2,8-triol; Uric acid, 99.0%; URIC ACID [MI]; URIC ACID [INCI]; bmse000126; SCHEMBL7933; 7H-purine-2,6,8-triol; DSSTox_CID_22508; DSSTox_RID_80044; DSSTox_GSID_42508; URICUM ACIDUM [HPUS]; (S)-3-Aminoquinuclidine HCl; GTPL4731; DTXSID3042508; SCHEMBL15777793; SCHEMBL17081907; CHEBI:46811; CHEBI:46814; CHEBI:46817; CHEBI:46823; CHEBI:62589; NSC3975; Uric acid, >=99%, crystalline; HMS3604N17; AMY23430; BCP28980; HY-B2130; Purine-2,8(1H,3H,9H)-trione; ZINC2041003; Tox21_113563; BDBM50325824; s3955; STL185577; AKOS000118731; Purine-3,6,8(1H,3H,9H)-trione; CCG-339700; DB08844; Uric acid, NIST(R) SRM(R) 913b; CAS-69-93-2; purine-2,6,8-(1H,3H,9H)-trione; Uric acid, BioXtra, >=99% (HPLC); AS-56119; SY057305; 6-hydroxy-1H-purine-2,8(7H,9H)-dione; DB-055359; 2,6,8-Trioxypurine;2,6,8-Trihydroxypurine; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; CS-0020287; FT-0631301; U0018; 1H-Purine-2,8(3H)-trione, 7,9-dihydro-; EN300-19268; 7,9-Dihydro-3H-purine-2,6,8-trione(Urate); C00366; U-6050; 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine; 7,9-Dihydro-3H-purine-2,6,8-trione(uric acid); A866713; Q105522; SR-01000945208; SR-01000945208-1; 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI); Z104473370
	CAS	69-93-2
	PubChem CID	1175
	ChEMBL ID	CHEMBL792

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Organoheterocyclic compou Class: Imidazopyrimidines Subclass: Purines and purine deriva Direct Parent: Xanthines	ClassyFire Version 1.0 PMID:27867422

NPs Species Source

	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference
	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.

**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name
	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name

NPs Physi-Chem Properties

Molecular Weight:	168.11	ALogp:	-1.9
HBD:	4	HBA:	3
Rotatable Bonds:	0	Lipinski's rule of five:	Accepted
Polar Surface Area:	99.3	Aromatic Rings:	2
Heavy Atoms:	12	QED Weighted:	0.396

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.893	MDCK Permeability:	0.00004840
Pgp-inhibitor:	0	Pgp-substrate:	0.251
Human Intestinal Absorption (HIA):	1	20% Bioavailability (F20%):	0.256
30% Bioavailability (F30%):	0.042

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.117	Plasma Protein Binding (PPB):	14.34%
Volume Distribution (VD):	0.516	Fu:	67.00%

ADMET: Metabolism

CYP1A2-inhibitor:	0.036	CYP1A2-substrate:	0.992
CYP2C19-inhibitor:	0.074	CYP2C19-substrate:	0.039
CYP2C9-inhibitor:	0.01	CYP2C9-substrate:	0.01
CYP2D6-inhibitor:	0.001	CYP2D6-substrate:	0.002
CYP3A4-inhibitor:	0.007	CYP3A4-substrate:	0.425

ADMET: Excretion

Clearance (CL):

7.628

Half-life (T1/2):

0.971

ADMET: Toxicity

hERG Blockers:	0.022	Human Hepatotoxicity (H-HT):	0.631
Drug-inuced Liver Injury (DILI):	0.994	AMES Toxicity:	0.033
Rat Oral Acute Toxicity:	0.981	Maximum Recommended Daily Dose:	0.007
Skin Sensitization:	0.174	Carcinogencity:	0.383
Eye Corrosion:	0.003	Eye Irritation:	0.843
Respiratory Toxicity:	0.979

*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs					Similar Drugs
NPs ID	NPs 2D Structure	Similarity Score			TTD ID	Drug 2D Structure	Similarity Score
ENC000063		0.295			D05LEO		0.295
ENC001638		0.258			D09AMZ		0.241
ENC000065		0.222			D0WB9V		0.239
ENC000997		0.211			D0Y8PT		0.237
ENC003436		0.200			D0J9UN		0.213
ENC002826		0.200			D0E0SW		0.212
ENC002824		0.194			D0E0WQ		0.196
ENC002446		0.193			D0I0DS		0.193
ENC004721		0.185			D0A4JK		0.180
ENC004720		0.185			D05TMQ		0.180

*Note: the compound similarity was calculated by RDKIT.