General
Preferred name
Diuron
Synonyms
3-[3,4-DICHLOROPHENYL]1,1-DIMETHYLUREA ()
DCMU ()
P&D ID
PD001936
CAS
330-54-1
102962-29-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Diuron is an orally active phenylurea herbicide. Diuron inhibits photosynthesis in plants by blocking the formation of ATP and NADH. Diuron increases the production of ROS. Diuron increases expression of p53 in certain cell lines. Diuron has herbicidal activity against annual and perennial broadleaf weeds and grass weeds. Diuron promotes DMBA/BBN-induced bladder cancer. Diuron can be used in breast cancer research[1][2][3][4][5][6].
DESCRIPTION Herbicide. Diuron is a phenylurea herbicide that inhibits photosynthesis by preventing the formation of ATP and NADH. (Enamine Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
5
Cayman Chemical Bioactives
24040
Enamine Bioactive Compounds
EBC-04392
EU-OPENSCREEN Bioactive Compound Library
EOS102064
MedChem Express Bioactive Compound Library
HY-B0860
NPC Screening Collection
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
232.02
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
3.09
TPSA
32.34
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Herbicide
MDM-2/p53
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data