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	4-Hydroxyphenylacetamide
	Molecular Formula	C8H9NO2
	IUPAC Name*	2-(4-hydroxyphenyl)acetamide
	SMILES	C1=CC(=CC=C1CC(=O)N)O
	InChI	InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
	InChIKey	YBPAYPRLUDCSEY-UHFFFAOYSA-N
	Synonyms	4-Hydroxyphenylacetamide; 17194-82-0; 2-(4-Hydroxyphenyl)acetamide; p-Hydroxyphenylacetamide; 4-Hydroxybenzeneacetamide; Benzeneacetamide, 4-hydroxy-; p-(Carbamoylmethyl)phenol; (p-Hydroxyphenyl)acetamide; 2-(p-Hydroxyphenyl)acetamide; 4-(Hydroxyphenyl)acetamide; Acetamide, 2-(p-hydroxyphenyl)-; (4-Hydroxyphenyl)acetamide; MFCD00017145; p-Hydroxyphenyl acetamide; 0HY0N4ITN4; CHEMBL447310; NSC-187193; 4-hydroxy phenylacetamide; EINECS 241-235-0; UNII-0HY0N4ITN4; BRN 2085984; 2-(4-Hydroxyphenyl)-ethylamide; P-Hydroxyphenyl-acetamide; P-HYDROXY BENZYLAMIDE; Oprea1_206241; 3-10-00-00434 (Beilstein Handbook Reference); 4-Hydroxyphenylacetamide,(S); SCHEMBL661973; 4-Hydroxyphenylacetamide, 99%; alpha-(p-Hydroxyphenyl)acetamide; DTXSID4066171; YBPAYPRLUDCSEY-UHFFFAOYSA-; HYDROXYPHENYLACETAMIDE, 4-; ZINC157085; BBL012281; BDBM50339587; NSC187193; STL163593; AKOS005716492; AC-6787; CCG-356424; CS-W016314; NSC 187193; PS-4609; s12297; SY001683; DB-043877; FT-0618730; FT-0618731; H0853; EN300-219225; A811367; W-107869; 2-(4-hydroxyphenyl)acetamide;4-Hydroxyphenylacetamide; Q27236794
	CAS	17194-82-0
	PubChem CID	86986
	ChEMBL ID	CHEMBL447310

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Benzenoids Class: Benzene and substituted d Subclass: Phenylacetamides Direct Parent: Phenylacetamides	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:	151.16	ALogp:	0.1
HBD:	2	HBA:	2
Rotatable Bonds:	2	Lipinski's rule of five:	Accepted
Polar Surface Area:	63.3	Aromatic Rings:	1
Heavy Atoms:	11	QED Weighted:	0.657

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-4.583	MDCK Permeability:	0.00003270
Pgp-inhibitor:	0	Pgp-substrate:	0.968
Human Intestinal Absorption (HIA):	0.008	20% Bioavailability (F20%):	0.311
30% Bioavailability (F30%):	0.46

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.865	Plasma Protein Binding (PPB):	46.87%
Volume Distribution (VD):	0.668	Fu:	64.34%

ADMET: Metabolism

CYP1A2-inhibitor:	0.086	CYP1A2-substrate:	0.102
CYP2C19-inhibitor:	0.059	CYP2C19-substrate:	0.067
CYP2C9-inhibitor:	0.04	CYP2C9-substrate:	0.763
CYP2D6-inhibitor:	0.034	CYP2D6-substrate:	0.491
CYP3A4-inhibitor:	0.021	CYP3A4-substrate:	0.234

ADMET: Excretion

Clearance (CL):

14.522

Half-life (T1/2):

0.634

ADMET: Toxicity

hERG Blockers:	0.044	Human Hepatotoxicity (H-HT):	0.139
Drug-inuced Liver Injury (DILI):	0.583	AMES Toxicity:	0.324
Rat Oral Acute Toxicity:	0.047	Maximum Recommended Daily Dose:	0.008
Skin Sensitization:	0.361	Carcinogencity:	0.564
Eye Corrosion:	0.004	Eye Irritation:	0.581
Respiratory Toxicity:	0.016

*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
ENC000006		0.714			D01CRB		0.585
ENC004860		0.658			D0B3QM		0.558
ENC000129		0.585			D0W1RY		0.525
ENC000665		0.583			D0U5QK		0.463
ENC001422		0.535			D03UOT		0.444
ENC000870		0.535			D01UXC		0.439
ENC000350		0.526			D02AQY		0.417
ENC000676		0.526			D0S2BV		0.412
ENC000740		0.526			D02WAB		0.396
ENC002317		0.512			D02HXS		0.364

*Note: the compound similarity was calculated by RDKIT.