Compound Detail

CHEMBL64286

N-P-COUMAROYL TYRAMINE

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O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL64286
Name	N-P-COUMAROYL TYRAMINE
Phase	Preclinical
Structure Type	MOL
InChI Key	RXGUTQNKCXHALN-BJMVGYQFSA-N

Trans-N-Hydroxycinnamoyltyramine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

283.3

MW (Da)

2.47

ALogP

HBA

HBD

69.6

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 6.38

EC50 1 meas. best 4.12

Ki 1 meas. best 6.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	6.46	6.46	350.0	1
Unchecked CHEMBL612545	IC50	6.38	5.11	420.0	4
BV-2 CHEMBL614781	IC50	5.66	5.66	2200.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.08	4.68	8400.0	2
Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666	IC50	4.68	4.68	21000.0	1
Radical scavenging activity CHEMBL613712	IC50	4.2	4.2	63500.0	1
Pseudoalteromonas ulvae CHEMBL4296595	EC50	4.12	4.12	75500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	350.0	nM	6.46	Uncompetitive inhibition of baker's yeast alpha-glucosidase using pNPG as substr...	26974386
Unchecked	IC50	=	420.0	nM	6.38	Inhibition of baker's yeast alpha-glucosidase using pNPG as substrate by spectro...	26974386
BV-2	IC50	=	2200.0	nM	5.66	Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of...	33822610
Unchecked	IC50	=	4500.0	nM	5.35	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alp...	31661271
NON-PROTEIN TARGET	IC50	=	8400.0	nM	5.08	Antiinflammatory activity in human PMN assessed as inhibition of Phorbol-12-myri...	16724856
Unchecked	IC50	=	21000.0	nM	4.68	Antagonistic activity towards NMDA receptor 1A/2B subtype was determined	9871654
Glutamate NMDA receptor; Grin1/Grin2b	IC50	=	21000.0	nM	4.68	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.	10464027
NON-PROTEIN TARGET	IC50	=	52600.0	nM	4.28	Antioxidant activity assessed as inhibition of xanthine-xanthine oxidase generat...	23282106
Radical scavenging activity	IC50	=	63500.0	nM	4.2	Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins	23282106
Pseudoalteromonas ulvae	EC50	=	75500.0	nM	4.12	Anti-biofilm activity against Pseudoalteromonas ulvae TC14 assessed as inhibitio...	29198862
Unchecked	IC50	=	92400.0	nM	4.03	Inhibition of Acyrthosiphon pisum phenoloxidase using L-DOPA as substrate preinc...	28006914

PubMed	DOI	Target Context	# Activities
26974386	10.1016/j.ejmech.2016.02.044	Unchecked	9
22413887	10.1021/np200877u	NON-PROTEIN TARGET	3
34460260	10.1021/acs.jnatprod.1c00435	N2a	3
9871654	10.1016/s0960-894x(97)10215-3	Unchecked	3
26928423	10.1021/acs.jnatprod.5b01054	Plasmodium falciparum	2
33822610	10.1021/acs.jnatprod.1c00055	BV-2	2
21500777	10.1021/np100900k	B16-F10	2
21500777	10.1021/np100900k	Tyrosinase	1
22413887	10.1021/np200877u	ADMET	1
22413887	10.1021/np200877u	MDA-MB-231	1
22413887	10.1021/np200877u	A549	1
22413887	10.1021/np200877u	MCF7	1
22413887	10.1021/np200877u	HepG2	1
16724856	10.1021/np0505521	NON-PROTEIN TARGET	1
1593281	10.1021/np50081a011	HT-29	1
1593281	10.1021/np50081a011	MCF7	1
1593281	10.1021/np50081a011	A549	1
1593281	10.1021/np50081a011	Artemia	1
10464027	10.1021/jm990199u	Glutamate NMDA receptor; Grin1/Grin2c	1
10464027	10.1021/jm990199u	Glutamate NMDA receptor; Grin1/Grin2b	1

Data from ChEMBL 36 via Core Engine