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	Succinimide
	Molecular Formula	C4H5NO2
	IUPAC Name*	pyrrolidine-2,5-dione
	SMILES	C1CC(=O)NC1=O
	InChI	InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
	InChIKey	KZNICNPSHKQLFF-UHFFFAOYSA-N
	Synonyms	SUCCINIMIDE; 123-56-8; pyrrolidine-2,5-dione; 2,5-Pyrrolidinedione; Butanimide; Succinic acid imide; 2,5-Dioxopyrrolidine; 2,5-Diketopyrrolidine; Succinic imide; Succinimide-sauba; 3,4-Dihydropyrrole-2,5-dione; Dihydro-3-pyrroline-2,5-dione; 3,4-Dihydropyrrolidine; NSC 11204; SUCCIMIDE; Mercuric imidosuccinate; CHEBI:9307; NSC-11204; Mercury, disuccinimido-; WLN: T5VMVTJ; 2, mercury(2+) salt; 10X90O3503; 584-43-0; Succinimide, mercury(2+) salt; MERCURIC SUCCINIMIDE; 25950-42-9; NSC-38417; NSC-41221; EINECS 204-635-6; MFCD00005495; BRN 0108440; succinimid; cis-succinimide; AI3-08539; UNII-10X90O3503; Succinimide (SI); 2,5dioxopyrrolidine; Lubrizol 6406; pyrroldine-2,5-dione; succinimide(butanimide); SUCCINIMIDE [MI]; Succinimide pharbiol (TN); EC 204-635-6; DSSTox_CID_30181; SUCCINIMIDE [MART.]; DSSTox_GSID_51629; SUCCINIMIDE [WHO-DD]; 5-21-09-00438 (Beilstein Handbook Reference); BDBM7814; CHEMBL275661; DTXSID8051629; NSC11204; NSC13114; NSC38417; NSC41221; NSC49152; ZINC5133396; Tox21_303851; NSC-13114; NSC-49152; STL163344; AKOS000118776; DB13376; NCGC00357119-01; BP-21153; CAS-123-56-8; BB 0322715; FT-0658724; Succinimide, Vetec(TM) reagent grade, 98%; EN300-17963; C07273; D08532; Q419430; Z57127349; F1908-0169; 1BBF5533-77F1-4B20-96F3-0BB022C36CD3
	CAS	123-56-8
	PubChem CID	11439
	ChEMBL ID	CHEMBL275661

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Organoheterocyclic compou Class: Pyrrolines Subclass: No Rank at Level Subclass Direct Parent: Pyrrolines	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:	99.09	ALogp:	-1.0
HBD:	1	HBA:	2
Rotatable Bonds:	0	Lipinski's rule of five:	Accepted
Polar Surface Area:	46.2	Aromatic Rings:	1
Heavy Atoms:	7	QED Weighted:	0.43

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.096	MDCK Permeability:	0.00000838
Pgp-inhibitor:	0.001	Pgp-substrate:	0.003
Human Intestinal Absorption (HIA):	0.014	20% Bioavailability (F20%):	0.937
30% Bioavailability (F30%):	0.502

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.066	Plasma Protein Binding (PPB):	27.14%
Volume Distribution (VD):	0.976	Fu:	70.60%

ADMET: Metabolism

CYP1A2-inhibitor:	0.017	CYP1A2-substrate:	0.188
CYP2C19-inhibitor:	0.034	CYP2C19-substrate:	0.054
CYP2C9-inhibitor:	0.012	CYP2C9-substrate:	0.921
CYP2D6-inhibitor:	0.01	CYP2D6-substrate:	0.719
CYP3A4-inhibitor:	0.01	CYP3A4-substrate:	0.081

ADMET: Excretion

Clearance (CL):

11.409

Half-life (T1/2):

0.881

ADMET: Toxicity

hERG Blockers:	0.009	Human Hepatotoxicity (H-HT):	0.193
Drug-inuced Liver Injury (DILI):	0.492	AMES Toxicity:	0.186
Rat Oral Acute Toxicity:	0.658	Maximum Recommended Daily Dose:	0.007
Skin Sensitization:	0.094	Carcinogencity:	0.703
Eye Corrosion:	0.341	Eye Irritation:	0.654
Respiratory Toxicity:	0.717

*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
ENC001020		0.433			D0K8IX		0.357
ENC005486		0.265			D0WB9V		0.344
ENC000450		0.258			D0Q4XQ		0.286
ENC000476		0.250			D0Z9NZ		0.255
ENC001229		0.250			D0M6DO		0.245
ENC003479		0.233			D0Z8AA		0.240
ENC001520		0.231			D07XVN		0.224
ENC002343		0.229			D0Q5NX		0.220
ENC006064		0.225			D0U7GK		0.220
ENC005741		0.224			D0A3ZU		0.213

*Note: the compound similarity was calculated by RDKIT.