Compound Detail

CHEMBL238188

OSAJIN

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CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL238188
Name	OSAJIN
Phase	Preclinical
Structure Type	MOL
InChI Key	DCTLJGWMHPGCOS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.5

MW (Da)

5.56

ALogP

HBA

HBD

79.9

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 5.51

EC50 4 meas. best 6.06

Ki 2 meas. best 5.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Streptokinase A CHEMBL1293228	EC50	6.06	6.06	876.0	1
Streptococcus sp. 'group A' CHEMBL612389	EC50	5.95	5.95	1112.0	1
Streptococcus CHEMBL612313	EC50	5.83	5.83	1469.0	1
Sialidase CHEMBL5189	IC50	5.51	5.51	3060.0	1
Sialidase CHEMBL5189	Ki	5.49	5.49	3210.0	1
SARS-CoV-2 CHEMBL4303835	IC50	5.41	5.41	3870.0	1
Histone deacetylase CHEMBL2093865	IC50	5.18	5.18	6530.0	1
Unchecked CHEMBL612545	EC50	4.78	4.78	16600.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	4.63	4.63	23600.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	Ki	4.52	4.52	29900.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.51	4.51	31000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Streptokinase A	EC50	=	876.0	nM	6.06	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus sp. 'group A'	EC50	=	1112.0	nM	5.95	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	1469.0	nM	5.83	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Sialidase	IC50	=	3060.0	nM	5.51	Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-a...	24054487
Sialidase	Ki	=	3210.0	nM	5.49	Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-meth...	24054487
SARS-CoV-2	IC50	=	3870.0	nM	5.41	Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ...	-
Histone deacetylase	IC50	=	6530.0	nM	5.18	Inhibition of HDAC in HeLa cells	17662606
Unchecked	EC50	=	16600.0	nM	4.78	PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators...	-
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	23600.0	nM	4.63	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate...	26704263
Tyrosine-protein phosphatase non-receptor type 1	Ki	=	29900.0	nM	4.52	Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosph...	26704263
NON-PROTEIN TARGET	IC50	=	31000.0	nM	4.51	Antioxidant activity assessed as hypochlorous acid scavenging activity by fluore...	23947936

PubMed	DOI	Target Context	# Activities
-	10.1584/jpestics.26.261	Ostrinia nubilalis	63
19969457	10.1016/j.bmcl.2009.11.103	Achaea janata	20
23947936	10.1021/np400242e	NON-PROTEIN TARGET	5
21314138	10.1021/jf104411h	Tribolium castaneum	4
24054487	10.1016/j.bmc.2013.08.049	Sialidase	3
23947936	10.1021/np400242e	J774.A1	3
21314138	10.1021/jf104411h	Callosobruchus chinensis	3
21314138	10.1021/jf104411h	Rhyzopertha dominica	3
21314138	10.1021/jf104411h	Sitophilus oryzae	3
26704263	10.1016/j.bmcl.2015.12.021	Tyrosine-protein phosphatase non-receptor type 1	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
17662606	10.1016/j.bmcl.2007.06.060	Hepatocyte	1
17662606	10.1016/j.bmcl.2007.06.060	HCT-15	1
17662606	10.1016/j.bmcl.2007.06.060	LOX IMVI	1
23947936	10.1021/np400242e	Unchecked	1
17662606	10.1016/j.bmcl.2007.06.060	MDA-MB-231	1
17662606	10.1016/j.bmcl.2007.06.060	NCI-H23	1
17662606	10.1016/j.bmcl.2007.06.060	ACHN	1
37683361	10.1016/j.ejmech.2023.115791	BMDM	1
17662606	10.1016/j.bmcl.2007.06.060	PC-3	1

Data from ChEMBL 36 via Core Engine