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

CHEMBL195296

SUGIOL
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
CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195296
Name SUGIOL
Phase Preclinical
Structure Type MOL
InChI Key IPEHJNRNYPOFII-AZUAARDMSA-N
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
5.19
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
1
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 C20H28O2
MW 300.44
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.44

Activity Summary

IC50 6 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 5.17 5.17 6700.0 1
MIA PaCa-2
CHEMBL614725
 IC50 4.75 4.75 17900.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 4.61 4.545 24600.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.47 4.47 34100.0 1
Vero
CHEMBL391
 IC50 4.34 4.34 45400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 6700.0 nM 5.17 Cytotoxicity against human K562 cells after 48 hrs by MTT assay 30684866
MIA PaCa-2 IC50 = 17900.0 nM 4.75 Cytotoxicity against human MIAPaCa2 cells after 24 hrs by MTT assay 21775156
Trypanosoma cruzi IC50 = 24600.0 nM 4.61 Trypanocidal activity against intracellular amastigote form of Trypanosoma cruzi... 25462275
Trypanosoma cruzi IC50 = 33100.0 nM 4.48 Trypanocidal activity against epimastigote Trypanosoma cruzi IRHOD/CO/2008/SN3 25462275
NON-PROTEIN TARGET IC50 = 34100.0 nM 4.47 Cytotoxicity against human MV-3 cells after 24 hrs by MTT assay 21775156
Vero IC50 = 45400.0 nM 4.34 Cytotoxicity against african green monkey Vero cells after 72 hrs 25462275

Literature References

PubMed DOI Target Context # Activities
17663539 10.1021/jm070295s SARS-CoV 5
25462275 10.1016/j.ejmech.2014.11.004 Trypanosoma cruzi 3
25462275 10.1016/j.ejmech.2014.11.004 Unchecked 3
24210499 10.1016/j.bmcl.2013.10.040 NON-PROTEIN TARGET 2
37146221 10.1021/acs.jnatprod.2c01136 RAW264.7 1
15808460 10.1016/j.bmcl.2005.02.057 SW-620 1
30684866 10.1016/j.ejmech.2019.01.028 K562 1
26905523 10.1021/acs.jnatprod.5b01131 Leishmania amazonensis 1
26905523 10.1021/acs.jnatprod.5b01131 Leishmania donovani 1
25462275 10.1016/j.ejmech.2014.11.004 Vero 1
24210499 10.1016/j.bmcl.2013.10.040 A549 1
24210499 10.1016/j.bmcl.2013.10.040 PC-3 1
24210499 10.1016/j.bmcl.2013.10.040 HL-60 1
24210499 10.1016/j.bmcl.2013.10.040 MRC5 1
21775156 10.1016/j.bmc.2011.06.067 NON-PROTEIN TARGET 1
21775156 10.1016/j.bmc.2011.06.067 MIA PaCa-2 1
17663539 10.1021/jm070295s Vero 1
15808460 10.1016/j.bmcl.2005.02.057 A549 1
15808460 10.1016/j.bmcl.2005.02.057 NCI-H23 1
15808460 10.1016/j.bmcl.2005.02.057 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine