Compound Detail

CHEMBL1255778

BENSERAZIDE HYDROCHLORIDE

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Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1255778
Name	BENSERAZIDE HYDROCHLORIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	ULFCBIUXQQYDEI-UHFFFAOYSA-N
Parent Compound	CHEMBL1096979
Active Moiety	CHEMBL1096979

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

257.2

MW (Da)

-1.76

ALogP

HBA

HBD

148.1

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.85

EC50 4 meas. best 6.95

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Zinc finger protein mex-5 CHEMBL1293319	EC50	6.95	6.95	112.0	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	6.85	6.85	140.0	1
SUMO-activating enzyme CHEMBL2095174	IC50	5.78	5.205	1660.0	2
Estrogen receptor beta CHEMBL242	IC50	5.51	5.51	3054.0	1
Intestinal-type alkaline phosphatase CHEMBL5573	EC50	5.26	5.26	5470.0	1
Plasmodium falciparum CHEMBL364	IC50	5.2	5.2	6309.6	1
Alkaline phosphatase, germ cell type CHEMBL3402	EC50	4.94	4.94	11500.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	4.43	4.43	37451.0	1
Polyadenylate-binding protein 1 CHEMBL1293286	IC50	4.35	4.35	44980.0	1
Intestinal-type alkaline phosphatase CHEMBL3151	IC50	4.29	4.29	50900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Zinc finger protein mex-5	EC50	=	112.0	nM	6.95	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Replicase polyprotein 1ab	IC50	=	140.0	nM	6.85	SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ...	-
SUMO-activating enzyme	IC50	=	1660.0	nM	5.78	PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of...	-
Estrogen receptor beta	IC50	=	3053.97	nM	5.51	PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se...	-
Intestinal-type alkaline phosphatase	EC50	=	5470.0	nM	5.26	PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a s...	-
Plasmodium falciparum	IC50	=	6309.57	nM	5.2	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g...	19734910
Alkaline phosphatase, germ cell type	EC50	=	11500.0	nM	4.94	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti...	-
SUMO-activating enzyme	IC50	=	23180.0	nM	4.63	PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio...	-
RNA-binding protein pos-1	EC50	=	37451.0	nM	4.43	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Polyadenylate-binding protein 1	IC50	=	44980.0	nM	4.35	PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla...	-
Intestinal-type alkaline phosphatase	IC50	=	50900.0	nM	4.29	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti...	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
17417631	10.1038/nchembio873	Unchecked	1
19734910	10.1038/nchembio.215	Plasmodium falciparum	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
35471830	10.1021/acs.jnatprod.2c00080	Protein disulfide-isomerase	1
-	10.6019/EOS300041	Replicase polyprotein 1ab	1
-	10.6019/EOS300044	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine