Compound Detail

CHEMBL491636

BELACTOSIN A

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL491636
Name	BELACTOSIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	ZSYIAUXMQLVKIL-BLTCOFLISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.4

MW (Da)

-0.61

ALogP

HBA

HBD

147.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 6.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.68	5.8817	210.0	6
26S proteasome CHEMBL2364701	IC50	5.85	5.845	1400.0	2
Proteasome Macropain subunit MB1 CHEMBL4662	IC50	5.84	5.84	1440.0	1
HeLa CHEMBL399	IC50	4.43	4.43	37000.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.29	4.29	51000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	210.0	nM	6.68	Inhibition of chymotrypsin-like activity of rabbit 20S proteasome using Suc-LLVY...	25769015
Unchecked	IC50	=	304.0	nM	6.52	Inhibition proteasome (unknown origin)	23837692
Unchecked	IC50	=	820.0	nM	6.09	Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes	18801655
26S proteasome	IC50	=	1400.0	nM	5.85	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-...	24524217
Proteasome Macropain subunit MB1	IC50	=	1440.0	nM	5.84	Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit ...	23547757
Unchecked	IC50	=	1440.0	nM	5.84	Inhibition of chymotrypsin-like activity of human 20S proteasome using succinyl-...	23837692
26S proteasome	IC50	=	1440.0	nM	5.84	Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-L...	24814885
Unchecked	IC50	=	4900.0	nM	5.31	Inhibition of trypsin-like activity of 20S proteasome in human erythrocytes	18801655
Unchecked	IC50	=	14000.0	nM	4.85	Inhibition of PGPH catalytic activity of 20S proteasome in human erythrocytes	18801655
HeLa	IC50	=	37000.0	nM	4.43	Growth inhibition of human HeLa cells after 48 hrs by MTT assay	18801655
NON-PROTEIN TARGET	IC50	=	51000.0	nM	4.29	Antiproliferative activity against human HeLaS3 cells after 72 hrs	19428245

PubMed	DOI	Target Context	# Activities
18801655	10.1016/j.bmcl.2008.08.073	Unchecked	3
23547757	10.1021/jm4002296	Proteasome Macropain subunit MB1	2
23837692	10.1021/jm400542h	Unchecked	2
18801655	10.1016/j.bmcl.2008.08.073	HeLa	1
19428245	10.1016/j.bmcl.2009.04.103	NON-PROTEIN TARGET	1
23547757	10.1021/jm4002296	Proteasome subunit beta type-8	1
24524217	10.1021/jm500045x	26S proteasome	1
24814885	10.1016/j.bmc.2014.04.032	26S proteasome	1
25769015	10.1021/np501060k	Unchecked	1

Data from ChEMBL 36 via Core Engine