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Compound Detail

CHEMBL201083

4-HYDROXYACETOPHENONE
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CC(=O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201083
Name 4-HYDROXYACETOPHENONE
Phase Preclinical
Structure Type MOL
InChI Key TXFPEBPIARQUIG-UHFFFAOYSA-N
5
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O2
MW 136.15
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.14

Activity Summary

IC50 20 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Physalis ixocarpa
CHEMBL2366827
 IC50 4.97 4.74 10800.0 3
Lolium multiflorum
CHEMBL2367274
 IC50 4.77 4.6267 17100.0 3
Trifolium pratense
CHEMBL2366744
 IC50 4.53 4.4233 29500.0 3
Lactuca sativa
CHEMBL613874
 IC50 4.37 4.34 43000.0 3
Spinacia oleracea
CHEMBL612824
 IC50 4.13 4.13 74500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Physalis ixocarpa IC50 = 10800.0 nM 4.97 Phytotoxicity against Physalis ixocarpa assessed as inhibition of root developme... 11929285
Physalis ixocarpa IC50 = 10800.0 nM 4.97 Phytotoxicity against Physalis ixocarpa assessed as inhibition of shoot developm... 11929285
Lolium multiflorum IC50 = 17100.0 nM 4.77 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Lolium multiflorum IC50 = 19000.0 nM 4.72 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Trifolium pratense IC50 = 29500.0 nM 4.53 Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of ... 11929285
Trifolium pratense IC50 = 34400.0 nM 4.46 Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of ... 11929285
Lolium multiflorum IC50 = 41000.0 nM 4.39 Phytotoxicity against Lolium multiflorum (Italian ryegrass) assessed as inhibiti... 11929285
Lactuca sativa IC50 = 43000.0 nM 4.37 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of seed re... 11929285
Lactuca sativa IC50 = 45500.0 nM 4.34 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of root de... 11929285
Lactuca sativa IC50 = 48500.0 nM 4.31 Phytotoxicity against Lactuca sativa (lettuce) assessed as inhibition of shoot d... 11929285
Trifolium pratense IC50 = 53000.0 nM 4.28 Phytotoxicity against Trifolium pratense (red clover) assessed as inhibition of ... 11929285
Physalis ixocarpa IC50 = 52900.0 nM 4.28 Phytotoxicity against Physalis ixocarpa assessed as inhibition of seed respirati... 11929285
Spinacia oleracea IC50 = 74500.0 nM 4.13 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
36966660 10.1016/j.bmc.2023.117255 Molecular identity unknown 4
25737008 10.1016/j.bmcl.2015.02.024 Unchecked 3
11929285 10.1021/jf011108g Spinacia oleracea 3
25737008 10.1016/j.bmcl.2015.02.024 Hepatitis B virus 3
16797984 10.1016/j.bmcl.2006.06.029 17-beta-hydroxysteroid dehydrogenase type 3 2
16279782 10.1021/jm050567w L1210 2
3443856 10.1021/np50054a004 Molecular identity unknown 2
19711891 10.1021/jf902190w Botrytis cinerea 2
19711891 10.1021/jf902190w Medicago sativa 1
11929285 10.1021/jf011108g NON-PROTEIN TARGET 1
19711891 10.1021/jf902190w Pythium aphanidermatum 1
19711891 10.1021/jf902190w Sclerotinia sclerotiorum 1
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A9 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1-6 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1

Data from ChEMBL 36 via Core Engine