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	D-Methionine
	Molecular Formula	C5H11NO2S
	IUPAC Name*	(2R)-2-amino-4-methylsulfanylbutanoic acid
	SMILES	CSCC[C@H](C(=O)O)N
	InChI	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
	InChIKey	FFEARJCKVFRZRR-SCSAIBSYSA-N
	Synonyms	D-Methionine; 348-67-4; H-D-Met-OH; (R)-Methionine; methionine; D-Methionin; D-Metionien; METHIONINE, D-; (R)-2-amino-4-(methylthio)butanoic acid; (2R)-2-amino-4-(methylsulfanyl)butanoic acid; MRx-1024; Methionine d-form; (2R)-2-amino-4-methylsulfanylbutanoic acid; R-Methionine; CHEBI:16867; D-2-Amino-4-(methylthio)butyric acid; CHEMBL1234268; MED; 868496F25R; D-2-Amino-4-(methylthio)butanoic acid; MFCD00002622; Methionine D-; (R)-2-Amino-4-(methylmercapto)butyric acid; D-Metionien [Australian]; NSC-45689; L-Methionine;; UNII-868496F25R; D-Met; EINECS 206-483-6; NSC 45689; D-Met-OH; bmse000450; D-Methionine;MRX-1024; SCHEMBL126688; S-METHYL-D-HOMOCYSTEINE; METHIONINE D-FORM [MI]; DTXSID90883369; D-Methionine, >=98% (HPLC); ACT04819; ZINC1532766; BDBM50463194; s4494; AKOS015852500; AC-8661; AM81977; CS-7880; DB02893; NCGC00163337-01; AC-12369; DS-15125; HY-13694; (R)-2-Amino-4-methylsulfanyl-butyric acid; D-Methionine, puriss., >=99.0% (NT); DB-038140; M0102; EN300-72154; C00855; 348M674; A822453; J-300192; Q-101531; Q27093862; Z1147215595
	CAS	348-67-4
	PubChem CID	84815
	ChEMBL ID	CHEMBL1234268

*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: Methionine and derivative	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:	149.21	ALogp:	-1.9
HBD:	2	HBA:	4
Rotatable Bonds:	4	Lipinski's rule of five:	Accepted
Polar Surface Area:	88.6	Aromatic Rings:	0
Heavy Atoms:	9	QED Weighted:	0.612

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.747	MDCK Permeability:	0.00000896
Pgp-inhibitor:	0.001	Pgp-substrate:	0.026
Human Intestinal Absorption (HIA):	0.008	20% Bioavailability (F20%):	0.002
30% Bioavailability (F30%):	0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.605	Plasma Protein Binding (PPB):	11.97%
Volume Distribution (VD):	0.485	Fu:	85.90%

ADMET: Metabolism

CYP1A2-inhibitor:	0.012	CYP1A2-substrate:	0.063
CYP2C19-inhibitor:	0.027	CYP2C19-substrate:	0.063
CYP2C9-inhibitor:	0.009	CYP2C9-substrate:	0.319
CYP2D6-inhibitor:	0.016	CYP2D6-substrate:	0.24
CYP3A4-inhibitor:	0.012	CYP3A4-substrate:	0.057

ADMET: Excretion

Clearance (CL):

9.051

Half-life (T1/2):

0.786

ADMET: Toxicity

hERG Blockers:	0.015	Human Hepatotoxicity (H-HT):	0.08
Drug-inuced Liver Injury (DILI):	0.018	AMES Toxicity:	0.011
Rat Oral Acute Toxicity:	0.101	Maximum Recommended Daily Dose:	0.013
Skin Sensitization:	0.147	Carcinogencity:	0.287
Eye Corrosion:	0.012	Eye Irritation:	0.105
Respiratory Toxicity:	0.235

*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
ENC000550		0.533			D01OPV		0.533
ENC000137		0.484			D01JIA		0.455
ENC000539		0.441			D00ENY		0.455
ENC000123		0.441			D02UDJ		0.429
ENC000795		0.417			D0P0QK		0.414
ENC000142		0.385			D03CHT		0.405
ENC001215		0.371			D0F5DO		0.385
ENC000141		0.324			D09PUL		0.385
ENC000445		0.303			D0X5SI		0.378
ENC000524		0.300			D0R3QY		0.314

*Note: the compound similarity was calculated by RDKIT.