Compound Detail

CHEMBL368737

THIOCOLCHICONE

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COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(=O)CC2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL368737
Name	THIOCOLCHICONE
Phase	Preclinical
Structure Type	MOL
InChI Key	LMBIHYWAZRMYEM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

372.4

MW (Da)

3.59

ALogP

HBA

HBD

61.8

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.25	6.185	560.0	2
Tubulin CHEMBL2095182	IC50	6.12	6.12	760.0	2
CA46 CHEMBL612566	IC50	4.75	4.75	18000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	560.0	nM	6.25	Inhibition of tubulin polymerization	14987069
Tubulin	IC50	=	760.0	nM	6.12	Inhibition of Tubulin polymerization after 20 minutes of administration at 30 de...	9083485
Unchecked	IC50	=	760.0	nM	6.12	Inhibition of tubulin polymerization	20187635
Tubulin	IC50	=	760.0	nM	6.12	Inhibition of tubulin polymerization (unknown origin) incubated for 20 mins	32432867
CA46	IC50	=	18000.0	nM	4.75	Inhibits the growth of the human Burkitt lymphoma CA46 cell	9083485

PubMed	DOI	Target Context	# Activities
20187635	10.1021/np900821e	Unchecked	2
9083485	10.1021/jm960663k	Tubulin	1
9083485	10.1021/jm960663k	Tubulin alpha chain	1
9083485	10.1021/jm960663k	CA46	1
14987069	10.1021/np030373o	Unchecked	1
32432867	10.1021/acs.jmedchem.0c00222	Tubulin	1

Data from ChEMBL 36 via Core Engine