Compound Detail

CHEMBL267225

BOSWELLIC ACID

🧪 Phase II

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🧪 Phase II

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL267225
Name	BOSWELLIC ACID
Phase	Phase II
Structure Type	MOL
InChI Key	NBGQZFQREPIKMG-PONOSELZSA-N

Known Names

Beta-boswellic acid Boswellic acid

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

456.7

MW (Da)

7.09

ALogP

HBA

HBD

57.5

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C30H48O3
MW	456.71
Aromatic Rings	0
Heavy Atoms	33
NP-Likeness	3.18

Indications

Multiple Sclerosis, Relapsing-Remitting

Activity Summary

IC50 7 meas. best 5.3

EC50 3 meas. best 6.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Streptococcus sp. 'group A' CHEMBL612389	EC50	6.15	6.15	705.0	1
Streptococcus CHEMBL612313	EC50	6.02	6.02	963.0	1
Streptokinase A CHEMBL1293228	EC50	6.0	6.0	997.0	1
Prostaglandin E synthase CHEMBL5658	IC50	5.3	5.3	5000.0	3
Prolyl endopeptidase CHEMBL3202	IC50	5.01	5.01	9750.0	1
HL-60 CHEMBL383	IC50	4.82	4.72	15000.0	2
HeLa CHEMBL399	IC50	4.46	4.46	35000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Streptococcus sp. 'group A'	EC50	=	705.0	nM	6.15	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	963.0	nM	6.02	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Streptokinase A	EC50	=	997.0	nM	6.0	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Prostaglandin E synthase	IC50	=	5000.0	nM	5.3	Inhibition of mPGES1	23013292
Prostaglandin E synthase	IC50	=	5000.0	nM	5.3	Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cell...	24844534
Prostaglandin E synthase	IC50	=	5000.0	nM	5.3	Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substr...	29329790
Prolyl endopeptidase	IC50	=	9750.0	nM	5.01	Inhibition of prolyl endopeptidase	15730241
HL-60	IC50	=	15000.0	nM	4.82	Anticancer activity against human HL60 cells after 48 hrs by MTT assay	22123322
HL-60	IC50	=	24000.0	nM	4.62	Cytotoxicity against human HL60 cells after 48 hrs by MTT assay	21334793
HeLa	IC50	=	35000.0	nM	4.46	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	21334793

Literature References

PubMed	DOI	Target Context	# Activities
22123322	10.1016/j.bmcl.2011.10.112	HL-60	5
17481895	10.1016/j.bmcl.2007.04.034	Rattus norvegicus	3
23013292	10.1021/np300009w	Brain	2
23013292	10.1021/np300009w	ADMET	2
26711891	10.1016/j.bmcl.2015.11.035	Mus musculus	2
31774676	10.1021/acs.jnatprod.9b00538	Prostaglandin G/H synthase 1	2
26711891	10.1016/j.bmcl.2015.11.035	PBMC	2
31774676	10.1021/acs.jnatprod.9b00538	Polyunsaturated fatty acid 5-lipoxygenase	2
31774676	10.1021/acs.jnatprod.9b00538	Polyunsaturated fatty acid lipoxygenase ALOX15B	2
31774676	10.1021/acs.jnatprod.9b00538	Prostaglandin G/H synthase 2	2
21334793	10.1016/j.ejmech.2011.01.061	HeLa	1
22123322	10.1016/j.bmcl.2011.10.112	PC-3	1
22123322	10.1016/j.bmcl.2011.10.112	COLO 205	1
22123322	10.1016/j.bmcl.2011.10.112	SW-620	1
22123322	10.1016/j.bmcl.2011.10.112	HT-29	1
18707891	10.1016/j.bmc.2008.07.080	Tyrosine-protein phosphatase non-receptor type 2	1
18707891	10.1016/j.bmc.2008.07.080	Tyrosine-protein phosphatase non-receptor type 1	1
17950603	10.1016/j.bmcl.2007.10.011	HT-29	1
35500202	10.1021/acs.jnatprod.1c01166	Sentrin-specific protease 1	1
17950603	10.1016/j.bmcl.2007.10.011	SW-620	1

Data from ChEMBL 36 via Core Engine