Compound Detail

CHEMBL465880

MORACHALCONE A

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CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL465880
Name	MORACHALCONE A
Phase	Preclinical
Structure Type	MOL
InChI Key	NXBYIJSAISXPKJ-WEVVVXLNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

340.4

MW (Da)

3.91

ALogP

HBA

HBD

98.0

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 9 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.89	6.55	13.0	2
Tyrosinase CHEMBL1973	IC50	7.1	7.1	80.0	1
Mushroom tyrosinase CHEMBL6066154	IC50	6.85	6.85	140.0	1
Tyrosinase CHEMBL5346	IC50	5.42	5.42	3800.0	1
Aromatase CHEMBL1978	IC50	5.34	5.34	4600.0	1
Pancreatic triacylglycerol lipase CHEMBL1687677	IC50	5.21	5.21	6200.0	1
RAW264.7 CHEMBL612557	IC50	4.79	4.515	16400.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	13.0	nM	7.89	Inhibition of tyrosinase using L-dihydroxyphenylalanine as substrate preincubate...	23113717
Tyrosinase	IC50	=	80.0	nM	7.1	Inhibition of tyrosinase (unknown origin)	29763564
Mushroom tyrosinase	IC50	=	140.0	nM	6.85	Inhibition of monophenolase activity of mushroom tyrosinase	27720556
Tyrosinase	IC50	=	3800.0	nM	5.42	Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin syn...	29763564
Aromatase	IC50	=	4600.0	nM	5.34	Inhibition of aromatase from human placental microsomes	11678652
Pancreatic triacylglycerol lipase	IC50	=	6200.0	nM	5.21	Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate...	25935644
Unchecked	IC50	=	6200.0	nM	5.21	Inhibition of porcine pancreatic lipase type 2	33214035
RAW264.7	IC50	=	16400.0	nM	4.79	Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess...	16643064
RAW264.7	IC50	=	58000.0	nM	4.24	Cytotoxicity against mouse RAW264.7 cells by MTT assay	16643064

PubMed	DOI	Target Context	# Activities
16643064	10.1021/np0600346	RAW264.7	3
23113717	10.1021/np300576w	Unchecked	3
25935644	10.1016/j.bmcl.2015.04.045	Pancreatic triacylglycerol lipase	2
29763564	10.1021/acs.jmedchem.7b00967	Tyrosinase	2
11678652	10.1021/np010288l	Aromatase	1
30227999	10.1016/j.bmc.2018.09.010	Nuclear factor erythroid 2-related factor 2	1
33214035	10.1016/j.bmc.2020.115853	Unchecked	1
27720556	10.1016/j.bmc.2016.09.054	Mushroom tyrosinase	1

Data from ChEMBL 36 via Core Engine