Compound Detail

CHEMBL259254

SANTONIN

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL259254
Name	SANTONIN
Phase	Preclinical
Structure Type	MOL
InChI Key	XJHDMGJURBVLLE-BOCCBSBMSA-N

.alpha.-santonin Alpha-santonin NSC-4900 Santonin Santoninum

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

246.3

MW (Da)

2.42

ALogP

HBA

HBD

43.4

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Single Enantiomer

Natural Product

PubMed	DOI	Target Context	# Activities
27191613	10.1016/j.ejmech.2016.05.018	NON-PROTEIN TARGET	8
27191613	10.1016/j.ejmech.2016.05.018	Mus musculus	6
30108707	10.1039/C6MD00527F	Murine T-cell line	6
23314050	10.1016/j.ejmech.2012.12.018	NON-PROTEIN TARGET	6
27847171	10.1016/j.ejmech.2016.11.018	B-cell	6
23314050	10.1016/j.ejmech.2012.12.018	ADMET	6
30108707	10.1039/C6MD00527F	B-cell line	6
27847171	10.1016/j.ejmech.2016.11.018	T-cell	6
27847171	10.1016/j.ejmech.2016.11.018	Tumor necrosis factor	3
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
19406535	10.1016/j.ejmech.2009.03.036	OVCAR-8	1
23062825	10.1016/j.bmc.2012.09.040	Cholinesterase	1
19406535	10.1016/j.ejmech.2009.03.036	PBMC	1
19406535	10.1016/j.ejmech.2009.03.036	PC-3	1
19406535	10.1016/j.ejmech.2009.03.036	A704	1
19406535	10.1016/j.ejmech.2009.03.036	UACC-257	1
19406535	10.1016/j.ejmech.2009.03.036	MDA-MB-435	1
19406535	10.1016/j.ejmech.2009.03.036	SF-295	1
19406535	10.1016/j.ejmech.2009.03.036	HL-60	1
1431933	10.1021/np50086a003	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine