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Compound Detail

CHEMBL354676

DIPHENYLUREA
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O=C(Nc1ccccc1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354676
Name DIPHENYLUREA
Phase Preclinical
Structure Type MOL
InChI Key GWEHVDNNLFDJLR-UHFFFAOYSA-N
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.33
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.07

Activity Summary

IC50 5 meas. best 7.72
Ki 4 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epoxide hydrolase B
CHEMBL1795155
 IC50 7.72 7.72 19.0 1
Bifunctional epoxide hydrolase 2
CHEMBL2409
 IC50 6.41 6.405 390.0 2
Epoxide hydrolase 1
CHEMBL1968
 IC50 5.92 5.92 1200.0 1
Cyclin-dependent kinase 9
CHEMBL3116
 Ki 5.4 5.4 3981.1 2
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 5.1 5.1 7943.3 2
Plasmodium falciparum
CHEMBL364
 IC50 4.86 4.86 13790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epoxide hydrolase B IC50 = 19.0 nM 7.72 Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherich... 21840723
Bifunctional epoxide hydrolase 2 IC50 = 390.0 nM 6.41 Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... 21840723
Bifunctional epoxide hydrolase 2 IC50 = 400.0 nM 6.4 Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy... 23684894
Epoxide hydrolase 1 IC50 = 1200.0 nM 5.92 Inhibition of microsomal epoxide hydrolase (unknown origin) using 7-(2-(Oxiran-2... -
Cyclin-dependent kinase 9 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 9 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Plasmodium falciparum IC50 = 13790.0 nM 4.86 Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR Gre... 25147607

Literature References

PubMed DOI Target Context # Activities
27427397 10.1016/j.bmc.2016.07.017 Lipid bilayer 12
- 10.1016/S0960-894X(00)80544-2 Rattus norvegicus 6
27427397 10.1016/j.bmc.2016.07.017 Staphylococcus aureus 3
27427397 10.1016/j.bmc.2016.07.017 Escherichia coli 3
21699136 10.1021/jm200349b Tyrosine-protein kinase SYK 2
25147607 10.1021/ml500211c Plasmodium falciparum 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
25147607 10.1021/ml500211c Unchecked 2
21699136 10.1021/jm200349b Receptor tyrosine-protein kinase erbB-4 1
21699136 10.1021/jm200349b Mitogen-activated protein kinase 8 1
21699136 10.1021/jm200349b Tyrosine-protein kinase JAK3 1
35636649 10.1016/j.bmcl.2022.128822 Unchecked 1
21699136 10.1021/jm200349b Glycogen synthase kinase-3 beta 1
21699136 10.1021/jm200349b Tyrosine-protein kinase Fes/Fps 1
21699136 10.1021/jm200349b Focal adhesion kinase 1 1
21699136 10.1021/jm200349b Epidermal growth factor receptor 1
21699136 10.1021/jm200349b Serine/threonine-protein kinase B-raf 1
21699136 10.1021/jm200349b Aurora kinase A 1
21699136 10.1021/jm200349b Mitogen-activated protein kinase kinase kinase 5 1
21699136 10.1021/jm200349b RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine