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Compound Detail

CHEMBL95770

4-METHOXYCINNAMIC ACID
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COc1ccc(/C=C/C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95770
Name 4-METHOXYCINNAMIC ACID
Phase Preclinical
Structure Type MOL
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.79
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10O3
MW 178.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.34

Activity Summary

IC50 12 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PLC-PRF-5
CHEMBL1075561
 IC50 5.18 5.18 6550.0 1
HepG2
CHEMBL395
 IC50 5.07 5.07 8560.0 1
Unchecked
CHEMBL612545
 IC50 4.4 4.38 40000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PLC-PRF-5 IC50 = 6550.0 nM 5.18 Antiproliferative activity against human PLC/PRF/5 cells incubated for 72 hrs in... 31200238
HepG2 IC50 = 8560.0 nM 5.07 Antiproliferative activity against human HepG2 cells incubated for 72 hrs in pre... 31200238
Unchecked IC50 = 40000.0 nM 4.4 Inhibition of alpha-glucosidase activity 15125954
Unchecked IC50 = 44000.0 nM 4.36 Inhibition of baker's yeast alpha-glucosidase using PNP-G as substrate preincuba... 35367706

Literature References

PubMed DOI Target Context # Activities
19368353 10.1021/jf8034385 Radish 3
- 10.1021/np50043a024 Abutilon theophrasti 3
19552984 10.1016/j.ejmech.2009.05.023 Tyrosinase 2
31200238 10.1016/j.ejmech.2019.06.006 HepG2 2
31200238 10.1016/j.ejmech.2019.06.006 PLC-PRF-5 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18996693 10.1016/j.bmcl.2008.10.056 Tyrosinase 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
15780639 10.1016/j.bmcl.2005.01.070 Mus musculus 2
8463795 10.1021/np50092a006 Malassezia furfur 1
8463795 10.1021/np50092a006 Saccharomyces cerevisiae 1
35367706 10.1016/j.ejmech.2022.114282 Unchecked 1
19932528 10.1016/j.ejmech.2009.11.007 Tyrosinase 1
21411319 10.1016/j.bmcl.2011.02.076 Tyrosinase 1
21377874 10.1016/j.bmcl.2011.02.028 Radical scavenging activity 1
21377874 10.1016/j.bmcl.2011.02.028 Tyrosinase 1
18524420 10.1016/j.ejmech.2008.04.002 Tyrosinase 1
- 10.1007/s00044-011-9938-0 Alpha-glucosidase MAL62 1
18326070 10.1016/j.bmc.2007.10.102 Tyrosinase 1
28334643 10.1016/j.ejmech.2017.03.023 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine