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	L-prolinamide
	Molecular Formula	C5H10N2O
	IUPAC Name*	(2S)-pyrrolidine-2-carboxamide
	SMILES	C1C[C@H](NC1)C(=O)N
	InChI	InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
	InChIKey	VLJNHYLEOZPXFW-BYPYZUCNSA-N
	Synonyms	L-prolinamide; 7531-52-4; Prolinamide; h-pro-nh2; (S)-Pyrrolidine-2-carboxamide; (S)-Prolinamide; (2S)-pyrrolidine-2-carboxamide; L-proline amide; l-Prolineamide; (S)-2-Pyrrolidinecarboxamide; 58274-20-7; proline amide; (S)-proline amide; 2-pyrrolidinecarboxamide,(s)-; l-(-)-prolinamide; VD6PQK9DHG; (2S)-2-pyrrolidinecarboxamide; CHEBI:21374; MFCD00005253; (s)-pyrrolidine-2-carboxylic acid amide; 2-PYRROLIDINECARBOXAMIDE, (2S)-; UNII-VD6PQK9DHG; (2S)-2-Carbamoylpyrrolidine; proline imide; (2S)pyrrolidine-2-carboxamide; L-proline amid; (2S)-prolinamide; LPD; EINECS 231-397-0; ProNH2; L-(-) prolinamide; H-ProNH2; L-ProNH2; L-Prolinamide, 98%; PROLINAMIDE, L-; 2-Pyrrolidinecarboxamide #; EC 231-397-0; H-L-PRO-NH2; SCHEMBL240170; (S)-Prrolidine-2-carboxamide; (S)-2-pyrrolidine carboxamide; CHEMBL1222059; 2-Pyrrolidinecarboxamide, (S)-; DTXSID00226268; ZINC391898; ACT05030; ALBB-014823; CS-D1209; AKOS005174571; AKOS015854494; NCGC00159402-02; AC-24602; AC-25877; BP-10428; HY-20582; TS-01579; DB-029980; AM20100732; P1382; A26952; C19781; EN300-114103; S)-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE; (2S)-Pyrrolidine-2-carboxamide (L-Prolinamide); 429P276; A839595; J-524162; Q-102892; Q27103084; F1905-7145; (S)-Pyrrolidine-2-carboxylic acid amide;(S)-Prolinamide; L-Proline amide;L-(-)-Prolinamide
	CAS	7531-52-4
	PubChem CID	111306
	ChEMBL ID	CHEMBL1222059

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Organic acids and derivat Class: Carboxylic acids and deri Subclass: Amino acids, peptides, an Direct Parent: Proline and derivatives	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:	114.15	ALogp:	-0.9
HBD:	2	HBA:	2
Rotatable Bonds:	1	Lipinski's rule of five:	Accepted
Polar Surface Area:	55.1	Aromatic Rings:	1
Heavy Atoms:	8	QED Weighted:	0.491

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.18	MDCK Permeability:	0.00013336
Pgp-inhibitor:	0.001	Pgp-substrate:	0.091
Human Intestinal Absorption (HIA):	0.023	20% Bioavailability (F20%):	0.005
30% Bioavailability (F30%):	0.101

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.168	Plasma Protein Binding (PPB):	10.91%
Volume Distribution (VD):	1.268	Fu:	92.80%

ADMET: Metabolism

CYP1A2-inhibitor:	0.018	CYP1A2-substrate:	0.084
CYP2C19-inhibitor:	0.027	CYP2C19-substrate:	0.14
CYP2C9-inhibitor:	0.004	CYP2C9-substrate:	0.123
CYP2D6-inhibitor:	0.004	CYP2D6-substrate:	0.407
CYP3A4-inhibitor:	0.005	CYP3A4-substrate:	0.145

ADMET: Excretion

Clearance (CL):

6.807

Half-life (T1/2):

0.413

ADMET: Toxicity

hERG Blockers:	0.022	Human Hepatotoxicity (H-HT):	0.234
Drug-inuced Liver Injury (DILI):	0.059	AMES Toxicity:	0.046
Rat Oral Acute Toxicity:	0.194	Maximum Recommended Daily Dose:	0.08
Skin Sensitization:	0.353	Carcinogencity:	0.383
Eye Corrosion:	0.017	Eye Irritation:	0.109
Respiratory Toxicity:	0.253

*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
ENC002436		0.279			D0DZ3X		0.630
ENC005521		0.214			D04URO		0.240
ENC000644		0.205			D0Q4YK		0.225
ENC000067		0.200			D02PPN		0.224
ENC000450		0.200			D02QCD		0.220
ENC004122		0.194			D05HXX		0.209
ENC000456		0.189			D0Y3ME		0.208
ENC000749		0.185			D03KEK		0.205
ENC001093		0.185			D0E1XL		0.200
ENC000183		0.182			D02XBW		0.200

*Note: the compound similarity was calculated by RDKIT.