Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1956398

PECHUELOIC ACID
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956398
Name PECHUELOIC ACID
Phase Preclinical
Structure Type MOL
InChI Key ZFHSKBJBODQVBX-AXTRIDKLSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.97
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.76
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 C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.46

Activity Summary

IC50 5 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.52 5.52 3040.0 1
Influenza A virus
CHEMBL613740
 IC50 4.59 4.59 25800.0 1
Influenza B virus
CHEMBL613129
 IC50 4.01 4.01 97700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 3040.0 nM 5.52 Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells pre-incubated... 25176187
Influenza A virus IC50 = 25800.0 nM 4.59 Antiinfluenza activity against influenza A virus H3N2 infected in MDCK cells ass... 22341943
Influenza B virus IC50 = 97700.0 nM 4.01 Antiviral activity against Influenza B virus infected in MDCK cells assessed as ... 31439378

Literature References

PubMed DOI Target Context # Activities
24583605 10.1016/j.ejmech.2014.02.029 Unchecked 4
31439378 10.1016/j.bmcl.2019.08.009 Unchecked 3
28196702 10.1016/j.bmcl.2016.06.011 Unchecked 3
25176187 10.1016/j.bmcl.2014.08.004 RAW264.7 2
22341943 10.1016/j.bmcl.2012.01.056 Influenza A virus 2
28196702 10.1016/j.bmcl.2016.06.011 MDCK 1
31439378 10.1016/j.bmcl.2019.08.009 MDCK 1
31439378 10.1016/j.bmcl.2019.08.009 Influenza A virus 1
31439378 10.1016/j.bmcl.2019.08.009 Influenza A virus H3N2 1
31439378 10.1016/j.bmcl.2019.08.009 Influenza B virus 1
28196702 10.1016/j.bmcl.2016.06.011 Influenza B virus 1
28196702 10.1016/j.bmcl.2016.06.011 Influenza A virus 1
28196702 10.1016/j.bmcl.2016.06.011 Influenza A virus H3N2 1
24583605 10.1016/j.ejmech.2014.02.029 MDCK 1
24583605 10.1016/j.ejmech.2014.02.029 Influenza A virus 1
24583605 10.1016/j.ejmech.2014.02.029 Influenza B virus 1
22341943 10.1016/j.bmcl.2012.01.056 Unchecked 1
22341943 10.1016/j.bmcl.2012.01.056 Influenza B virus 1
22341943 10.1016/j.bmcl.2012.01.056 MDCK 1

Data from ChEMBL 36 via Core Engine