Compound Detail

CHEMBL225963

PYRIDABEN

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CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL225963
Name	PYRIDABEN
Phase	Preclinical
Structure Type	MOL
InChI Key	DWFZBUWUXWZWKD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.9

MW (Da)

5.24

ALogP

HBA

HBD

34.9

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 6.68

IC50 6 meas. best 8.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Galanin receptor type 3 CHEMBL2731	IC50	8.18	8.18	6.6	1
Unchecked CHEMBL612545	IC50	8.1	8.1	8.0	2
G-protein coupled receptor 183 CHEMBL3259470	IC50	7.86	7.86	13.8	1
COUP transcription factor 2 CHEMBL1961790	IC50	7.21	7.21	61.9	1
G-protein coupled receptor 35 CHEMBL1293267	IC50	6.68	6.68	209.5	1
Unchecked CHEMBL612545	EC50	6.68	6.68	211.0	1
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	6.49	6.49	324.0	1
Streptococcus sp. 'group A' CHEMBL612389	EC50	5.38	5.38	4130.0	1
Streptokinase A CHEMBL1293228	EC50	5.3	4.99	4986.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Galanin receptor type 3	IC50	=	6.57	nM	8.18	PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res...	-
Unchecked	IC50	=	8.0	nM	8.1	Inhibition of bovine mitochondrial MC1	17696417
Unchecked	IC50	=	8.0	nM	8.1	Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as e...	18422306
G-protein coupled receptor 183	IC50	=	13.85	nM	7.86	GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR183	-
COUP transcription factor 2	IC50	=	61.93	nM	7.21	PubChem BioAssay. Luminescence-based cell-based high throughput dose response as...	-
Unchecked	EC50	=	211.0	nM	6.68	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t...	-
G-protein coupled receptor 35	IC50	=	209.52	nM	6.68	GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR35	-
ATP-dependent molecular chaperone HSP82	EC50	=	324.0	nM	6.49	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Streptococcus sp. 'group A'	EC50	=	4130.0	nM	5.38	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptokinase A	EC50	=	4986.0	nM	5.3	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptokinase A	EC50	=	20765.0	nM	4.68	PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I...	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5058577	U2OS	304
-	10.6019/CHEMBL5058577	HEK-293T	304
-	10.6019/CHEMBL5724801	U2OS	304
-	10.6019/CHEMBL5058577	Fibroblast	304
-	10.6019/CHEMBL5724801	HEK-293T	304
-	10.6019/CHEMBL5724801	Fibroblast	304
-	10.1016/j.cropro.2012.07.024	Tetranychus urticae	23
-	10.6019/CHEMBL5058564	HEK-293T	10
-	10.6019/CHEMBL5058564	Fibroblast	9
20309850	10.1002/ps.1943	Bombus terrestris	8
-	10.1016/j.cropro.2005.08.010	Tetranychus urticae	8
19760633	10.1002/ps.1837	Tetranychus cinnabarinus	6
23088717	10.1021/jf303376t	Tetranychus cinnabarinus	6
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5058564	U2OS	5
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5

Data from ChEMBL 36 via Core Engine