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Compound Detail

CHEMBL401912

P-METHOXY-ACETOPHENONE
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COc1ccc(C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401912
Name P-METHOXY-ACETOPHENONE
Phase Preclinical
Structure Type MOL
InChI Key NTPLXRHDUXRPNE-UHFFFAOYSA-N
5
Targets
15
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

150.2
MW (Da)
1.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.60
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 C9H10O2
MW 150.18
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.48

Activity Summary

IC50 15 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lolium multiflorum
CHEMBL2367274
 IC50 4.75 4.6233 17900.0 3
Physalis ixocarpa
CHEMBL2366827
 IC50 4.7 4.55 20100.0 3
Lactuca sativa
CHEMBL613874
 IC50 4.35 4.3 44300.0 3
Trifolium pratense
CHEMBL2366744
 IC50 4.24 4.24 57600.0 1
Spinacia oleracea
CHEMBL612824
 IC50 4.18 4.18 65700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lolium multiflorum IC50 = 17900.0 nM 4.75 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Lolium multiflorum IC50 = 18900.0 nM 4.72 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Physalis ixocarpa IC50 = 20100.0 nM 4.7 Phytotoxicity against Physalis ixocarpa assessed as inhibition of shoot developm... 11929285
Physalis ixocarpa IC50 = 20500.0 nM 4.69 Phytotoxicity against Physalis ixocarpa assessed as inhibition of root developme... 11929285
Lolium multiflorum IC50 = 40000.0 nM 4.4 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Lactuca sativa IC50 = 44300.0 nM 4.35 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of root de... 11929285
Lactuca sativa IC50 = 49500.0 nM 4.3 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of shoot d... 11929285
Physalis ixocarpa IC50 = 54600.0 nM 4.26 Phytotoxicity against Physalis ixocarpa assessed as inhibition of seed respirati... 11929285
Lactuca sativa IC50 = 55900.0 nM 4.25 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of seed re... 11929285
Trifolium pratense IC50 = 57600.0 nM 4.24 Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of ... 11929285
Spinacia oleracea IC50 = 65700.0 nM 4.18 Inhibition of H+ uptake in Spinacia oleracea (spinach) chloroplasts 11929285

Literature References

PubMed DOI Target Context # Activities
11929285 10.1021/jf011108g Trifolium pratense 4
11929285 10.1021/jf011108g Physalis ixocarpa 4
11929285 10.1021/jf011108g Lactuca sativa 4
11929285 10.1021/jf011108g Lolium multiflorum 4
18006320 10.1016/j.bmc.2007.10.096 3-alpha-hydroxysteroid dehydrogenase 3
11929285 10.1021/jf011108g Spinacia oleracea 3
18326070 10.1016/j.bmc.2007.10.102 Tyrosinase 2
36966660 10.1016/j.bmc.2023.117255 Molecular identity unknown 2
11929285 10.1021/jf011108g Radical scavenging activity 1
11929285 10.1021/jf011108g Phaseolus vulgaris 1

Data from ChEMBL 36 via Core Engine