Compound Detail

CHEMBL263376

PHENYLTHIOUREA

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NC(=S)Nc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL263376
Name	PHENYLTHIOUREA
Phase	Preclinical
Structure Type	MOL
InChI Key	FULZLIGZKMKICU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

152.2

MW (Da)

1.34

ALogP

HBA

HBD

38.0

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 7.24

Ki 2 meas. best 6.52

EC50 1 meas. best 5.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.24	7.24	58.0	1
Mushroom tyrosinase CHEMBL6066154	IC50	6.85	6.1167	140.0	3
Tyrosinase CHEMBL3318	Ki	6.52	6.52	300.0	1
Tyrosinase CHEMBL3318	IC50	5.89	5.82	1300.0	3
Tyrosinase CHEMBL1973	Ki	5.77	5.77	1700.0	1
Tyrosinase CHEMBL1973	IC50	5.75	5.75	1800.0	1
Tyrosinase CHEMBL5346	IC50	5.75	5.75	1800.0	1
Taste receptor type 2 member 38 CHEMBL4523248	EC50	5.7	5.7	2000.0	1
B16 CHEMBL381	IC50	5.27	5.27	5400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	58.0	nM	7.24	Inhibition of Acyrthosiphon pisum phenoloxidase using L-DOPA as substrate preinc...	28006914
Mushroom tyrosinase	IC50	=	140.0	nM	6.85	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 min...	39002182
Mushroom tyrosinase	IC50	=	290.0	nM	6.54	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30...	39002182
Tyrosinase	Ki	=	300.0	nM	6.52	Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by L...	26544630
Tyrosinase	IC50	=	1300.0	nM	5.89	Inhibition of mushroom tyrosinase using L-tyrosine as substrate	26544630
Tyrosinase	IC50	=	1500.0	nM	5.82	Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spec...	21978680
Tyrosinase	Ki	=	1700.0	nM	5.77	Uncompetitive inhibition of recombinant human tyrosinase expressed in baculoviru...	32787103
Tyrosinase	IC50	=	1800.0	nM	5.75	Inhibition of mushroom tyrosinase	18501598
Tyrosinase	IC50	=	1800.0	nM	5.75	Inhibition of tyrosinase	20097083
Tyrosinase	IC50	=	1800.0	nM	5.75	Inhibition of tyrosinase in alpha-MSH-induced mouse B16 cells	20638280
Taste receptor type 2 member 38	EC50	=	2000.0	nM	5.7	Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses...	-
B16	IC50	=	5400.0	nM	5.27	Inhibition of melanogenesis in mouse B16 cells	20359890
Mushroom tyrosinase	IC50	=	11000.0	nM	4.96	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 m...	28006914

PubMed	DOI	Target Context	# Activities
26544630	10.1016/j.ejmech.2015.10.033	Tyrosinase	7
39002182	10.1016/j.bmc.2024.117832	Mushroom tyrosinase	3
38244374	10.1016/j.ejmech.2024.116136	Danio rerio	2
20359890	10.1016/j.bmcl.2010.02.067	B16	2
894678	10.1021/jm00218a017	No relevant target	2
21978680	10.1016/j.bmcl.2011.09.024	Tyrosinase	2
20615711	10.1016/j.bmc.2010.06.034	ADMET	1
32787103	10.1021/acs.jmedchem.0c00994	Tyrosinase	1
28006914	10.1021/acs.jnatprod.6b00720	Mushroom tyrosinase	1
39002182	10.1016/j.bmc.2024.117832	No relevant target	1
28006914	10.1021/acs.jnatprod.6b00720	No relevant target	1
26544630	10.1016/j.ejmech.2015.10.033	ADMET	1
18501598	10.1016/j.bmcl.2008.04.079	Tyrosinase	1
20615711	10.1016/j.bmc.2010.06.034	Molecular identity unknown	1
20638280	10.1016/j.bmcl.2010.06.123	Tyrosinase	1
20638280	10.1016/j.bmcl.2010.06.123	B16	1
20584613	10.1016/j.bmc.2010.05.045	Tyrosinase	1
19822427	10.1016/j.bmcl.2009.09.077	Succinyl-diaminopimelate desuccinylase	1
20097083	10.1016/j.bmc.2010.01.005	Tyrosinase	1
20097083	10.1016/j.bmc.2010.01.005	B16	1

Data from ChEMBL 36 via Core Engine