Compound Detail

CHEMBL491245

SAUCERNEOL G

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CC(Cc1cc2c(cc1O)OCO2)C(C)C(=O)c1ccc2c(c1)OCO2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL491245
Name	SAUCERNEOL G
Phase	Preclinical
Structure Type	MOL
InChI Key	NZZRRNMWPWPQPA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

356.4

MW (Da)

3.55

ALogP

HBA

HBD

74.2

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 4.59

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.59	4.525	25900.0	2
HT-29 CHEMBL384	IC50	4.26	4.26	55000.0	1
HepG2 CHEMBL395	IC50	4.21	4.21	62000.0	1
MCF7 CHEMBL387	IC50	4.19	4.19	64000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	25900.0	nM	4.59	Antiplatelet activity against New Zealand white rabbit platelets assessed as inh...	24387347
NON-PROTEIN TARGET	IC50	=	34600.0	nM	4.46	Antiplatelet activity against New Zealand white rabbit platelets assessed as inh...	24387347
HT-29	IC50	=	55000.0	nM	4.26	Cytotoxicity against human HT29 cells by MTT assay	18841903
HepG2	IC50	=	62000.0	nM	4.21	Cytotoxicity against human HEPG2 cells by MTT assay	18841903
MCF7	IC50	=	64000.0	nM	4.19	Cytotoxicity against human MCF7 cells by MTT assay	18841903

PubMed	DOI	Target Context	# Activities
24387347	10.1021/np400772h	NON-PROTEIN TARGET	5
18841903	10.1021/np8002723	HT-29	1
18841903	10.1021/np8002723	HepG2	1
18841903	10.1021/np8002723	MCF7	1

Data from ChEMBL 36 via Core Engine