Compound Detail

CHEMBL1224512

HISPIDIN

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1224512
Name	HISPIDIN
Phase	Preclinical
Structure Type	MOL
InChI Key	SGJNQVTUYXCBKH-HNQUOIGGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

246.2

MW (Da)

1.93

ALogP

HBA

HBD

90.9

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C13H10O5
MW	246.22
Aromatic Rings	2
Heavy Atoms	18
NP-Likeness	1.34

Activity Summary

IC50 12 meas. best 5.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	5.0	4.9833	10000.0	6
Neuraminidase CHEMBL6135	IC50	4.77	4.4667	16900.0	3
Xanthine dehydrogenase/oxidase CHEMBL3649	IC50	4.4	4.4	39720.0	1
Influenza A virus CHEMBL613740	IC50	4.24	4.24	57900.0	1
Radical scavenging activity CHEMBL613712	IC50	4.23	4.23	58800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910
Plasmodium falciparum	IC50	=	12589.25	nM	4.9	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g...	19734910
Neuraminidase	IC50	=	16900.0	nM	4.77	Inhibition of recombinant Influenza A virus H5N1 neuraminidase	26077494
Xanthine dehydrogenase/oxidase	IC50	=	39720.0	nM	4.4	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincuba...	38911168
Neuraminidase	IC50	=	45200.0	nM	4.34	Inhibition of recombinant Influenza A virus H3N2 neuraminidase	26077494
Neuraminidase	IC50	=	50900.0	nM	4.29	Inhibition of recombinant Influenza A virus H1N1 neuraminidase	26077494
Influenza A virus	IC50	=	57900.0	nM	4.24	Antiviral activity against Influenza A virus H1N1 infected in MDCK cells assesse...	26077494
Radical scavenging activity	IC50	=	58800.0	nM	4.23	Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ...	23869482

Literature References

PubMed	DOI	Target Context	# Activities
19734910	10.1038/nchembio.215	Plasmodium falciparum	6
26077494	10.1016/j.bmcl.2015.05.081	Neuraminidase	6
23869482	10.1021/np400234u	No relevant target	4
20708931	10.1016/j.bmcl.2010.07.093	NON-PROTEIN TARGET	2
23869482	10.1021/np400234u	Liver	2
26077494	10.1016/j.bmcl.2015.05.081	Influenza A virus	2
38911168	10.1039/d4md00072b	Xanthine dehydrogenase/oxidase	1
36779910	10.1021/acs.jnatprod.2c01015	Escherichia coli	1
36779910	10.1021/acs.jnatprod.2c01015	Wickerhamomyces anomalus	1
36779910	10.1021/acs.jnatprod.2c01015	Schizosaccharomyces pombe	1
36779910	10.1021/acs.jnatprod.2c01015	Rhodotorula glutinis	1
36779910	10.1021/acs.jnatprod.2c01015	Mucor hiemalis	1
36779910	10.1021/acs.jnatprod.2c01015	Candida albicans	1
28797798	10.1016/j.bmcl.2017.07.062	Tyrosyl-DNA phosphodiesterase 1	1
26077494	10.1016/j.bmcl.2015.05.081	ADMET	1
26077494	10.1016/j.bmcl.2015.05.081	MDCK	1
26077494	10.1016/j.bmcl.2015.05.081	No relevant target	1
23869482	10.1021/np400234u	Radical scavenging activity	1
23869482	10.1021/np400234u	HCT-116	1
23869482	10.1021/np400234u	SW480	1

Data from ChEMBL 36 via Core Engine