Compound Detail

CHEMBL4516611

BTZO-1

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O=c1nc(-c2ccccn2)sc2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4516611
Name	BTZO-1
Phase	Preclinical
Structure Type	MOL
InChI Key	GBAKVEWPYUIGHN-UHFFFAOYSA-N

Tp-010

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

240.3

MW (Da)

2.72

ALogP

HBA

HBD

42.9

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug Chemical Probe

Kd 5 meas. best 7.16

Ki 3 meas. best 6.03

IC50 1 meas. best 7.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage migration inhibitory factor CHEMBL2085	Kd	7.16	7.045	68.6	4
Macrophage migration inhibitory factor CHEMBL2085	IC50	7.15	7.15	71.0	1
Macrophage migration inhibitory factor CHEMBL4524037	Kd	6.8	6.8	157.0	1
GABA-A receptor; anion channel CHEMBL1907607	Ki	6.03	6.015	934.0	2
Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962	Ki	6.03	6.03	934.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage migration inhibitory factor	Kd	=	68.6	nM	7.16	Scintillation proximity assay (SPA) measurement of selective [3H]-BTZO-1 binding...	-
Macrophage migration inhibitory factor	Kd	=	68.6	nM	7.16	Affinity Biochemical interaction (Scintillation proximity assay (SPA; measuremen...	-
Macrophage migration inhibitory factor	IC50	=	71.0	nM	7.15	Inhibition of [3H]-BTZO-1 binding to recombinant human C-terminal His-tagged MIF...	21168764
Macrophage migration inhibitory factor	Kd	=	88.0	nM	7.06	Binding affinity to BTZO-12 sensor chip immobilized human MIF expressed in Esche...	21168764
Macrophage migration inhibitory factor	Kd	=	157.0	nM	6.8	Scintillation proximity assay (SPA) measurement of selective [3H]-BTZO-1 binding...	-
Macrophage migration inhibitory factor	Kd	=	157.0	nM	6.8	Binding affinity to recombinant human C-terminal His-tagged MIF expressed in Esc...	21168764
GABA-A receptor; anion channel	Ki	=	934.0	nM	6.03	GPCRScan assay: inhibition of GABAA/BZP	-
Gamma-aminobutyric acid receptor subunit alpha-1	Ki	=	934.0	nM	6.03	Selectivity interaction (GPCR panel (PDSP screen)) EUB0000301b GABRA1	-
GABA-A receptor; anion channel	Ki	=	1000.0	nM	6.0	GPCRScan assay: inhibition of GABAA/BZP	-

PubMed	DOI	Target Context	# Activities
21168764	10.1016/j.chembiol.2010.10.011	Unchecked	23
-	10.6019/CHEMBL4507329	Tyrosine-protein kinase ABL1	15
21168764	10.1016/j.chembiol.2010.10.011	Macrophage migration inhibitory factor	13
-	10.6019/CHEMBL5674860	Colon cancer organoid	12
-	10.6019/CHEMBL4507329	Epidermal growth factor receptor	12
-	10.6019/CHEMBL5724558	Colon cancer organoid	12
-	10.6019/CHEMBL4507329	Receptor-type tyrosine-protein kinase FLT3	11
21168764	10.1016/j.chembiol.2010.10.011	Antioxidant response element	11
-	10.6019/CHEMBL4507329	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	10
-	10.6019/CHEMBL4689842	Fibroblast	10
-	10.6019/CHEMBL4689842	U2OS	9
-	10.6019/CHEMBL4507329	Mast/stem cell growth factor receptor Kit	9
-	10.6019/CHEMBL4507329	Unchecked	8
-	10.6019/CHEMBL4689842	HEK-293T	8
-	10.6019/CHEMBL5608141	Colon cancer organoid	6
-	10.1158/2159-8290.CD-23-0050	Colon cancer organoid	5
21168764	10.1016/j.chembiol.2010.10.011	Cardiac muscle cell	5
-	10.6019/CHEMBL4507329	Macrophage migration inhibitory factor	4
-	10.6019/CHEMBL4507329	GABA-A receptor; anion channel	4
-	10.6019/CHEMBL4507329	Proto-oncogene tyrosine-protein kinase receptor Ret	4

Data from ChEMBL 36 via Core Engine