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Compound Detail

CHEMBL260876

THIOUREA
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Basic Information

ChEMBL ID CHEMBL260876
Name THIOUREA
Phase Preclinical
Structure Type MOL
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
6
Targets
38
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

76.1
MW (Da)
-0.81
ALogP
1
HBA
2
HBD
52.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula CH4N2S
MW 76.12
Aromatic Rings 0
Heavy Atoms 4
NP-Likeness -0.92

Activity Summary

IC50 33 meas. best 6.7
Ki 5 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine-protein kinase ATM
CHEMBL3797
 IC50 6.7 6.7 200.0 1
Serine/threonine-protein kinase ATR
CHEMBL5024
 IC50 6.7 6.7 200.0 1
Urease
CHEMBL4161
 IC50 6.25 4.756 560.0 20
Urease
CHEMBL4161
 Ki 4.71 4.6875 19600.0 4
Unchecked
CHEMBL612545
 IC50 4.7 4.6225 20040.0 8
Urease
CHEMBL5325
 IC50 4.68 4.68 21110.0 1
Urease subunit alpha/Urease subunit beta
CHEMBL3885651
 IC50 4.64 4.64 23000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase ATR IC50 = 200.0 nM 6.7 Inhibition of ATR 18077363
Serine-protein kinase ATM IC50 = 200.0 nM 6.7 Inhibition of ATM 18077363
Urease IC50 = 560.0 nM 6.25 Inhibition of jack bean urease using urea as substrate pretreated for 15 mins fo... 28526368
Urease IC50 = 18195.0 nM 4.74 Inhibition of jack bean urease assessed as reduction on ammonia production using... 35305460
Urease IC50 = 19460.0 nM 4.71 Inhibition of jack bean urease using urea as substrate assessed as ammonia produ... 26507431
Urease Ki = 19600.0 nM 4.71 Inhibition of jack bean urease assessed as ammonia production after 30 mins by i... 21981981
Unchecked IC50 = 20040.0 nM 4.7 Inhibition of urease (unknown origin) incubated for 30 mins by microplate reader... 32992246
Urease Ki = 20010.0 nM 4.7 Inhibition Assay: Reaction mixtures consisting of 25 μL (1 unit/well) of Jack be... -
Urease Ki = 20010.0 nM 4.7 Competitive inhibition of jack bean urease using urea as substrate assessed as a... 24486414
Unchecked IC50 = 20900.0 nM 4.68 Inhibition of urease (unknown origin) measured after 20 mins 34147747
Urease IC50 = 21000.0 nM 4.68 Inhibition of jack bean urease by phenol red method 35694689
Urease IC50 = 21000.0 nM 4.68 Inhibition of jack bean urease 35305460
Urease IC50 = 20800.0 nM 4.68 Inhibition of jack bean urease assessed as reduction in ammonia production using... 31623971
Unchecked IC50 = 21000.0 nM 4.68 Inhibition of Bacillus pasteurii urease using urea as substrate measured after 2... 29324337
Urease IC50 = 21000.0 nM 4.68 Inhibition Assay: Reaction mixtures consisting of 25 μL (1 unit/well) of Jack be... -
Urease IC50 = 21000.0 nM 4.68 Inhibition of jack bean Urease assessed as ammonia production after 15 mins by i... 26081763
Urease IC50 = 21000.0 nM 4.68 Inhibition of jack bean urease using urea as substrate assessed as ammonia produ... 26077497
Unchecked IC50 = 21000.0 nM 4.68 Inhibition of Bacillus pasteurii urease using urea substrate assessed as reducti... 24986232
Urease IC50 = 21000.0 nM 4.68 Inhibition of jack bean urease using urea as substrate assessed as ammonia produ... 24486414
Urease IC50 = 21110.0 nM 4.68 Inhibition of Campylobacter pylori urease preincubated for 5 mins followed by ur... 29903414

Literature References

PubMed DOI Target Context # Activities
19223646 10.1128/aac.01087-08 Escherichia coli 9
- 10.1007/s00044-011-9745-7 Unchecked 6
- 10.1007/s00044-010-9491-2 Urease 5
24095755 10.1016/j.ejmech.2013.07.040 Urease 3
- 10.1007/s00044-013-0575-7 Urease 3
35305460 10.1016/j.ejmech.2022.114273 Urease 3
26310891 10.1016/j.ejmech.2015.08.011 Urease 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
26310891 10.1016/j.ejmech.2015.08.011 Unchecked 2
32992246 10.1016/j.bmc.2020.115759 Unchecked 2
21981981 10.1016/j.ejmech.2011.09.009 Urease 2
17751 10.1021/jm00217a007 No relevant target 2
29903414 10.1016/j.bmc.2018.06.005 Urease 2
31623971 10.1016/j.bmc.2019.115123 Urease 2
6251219 10.1021/jm00183a016 Poliovirus 1 2
24486414 10.1016/j.ejmech.2014.01.001 Urease 2
23871903 10.1016/j.ejmech.2013.06.045 Urease 2
20828889 10.1016/j.ejmech.2010.08.034 Urease 1
22739091 10.1016/j.bmc.2012.05.073 No relevant target 1
6343601 10.1021/jm00360a024 Alcohol dehydrogenase 1

Data from ChEMBL 36 via Core Engine