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

CHEMBL243374

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(=O)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243374
Phase Preclinical
Structure Type MOL
InChI Key SULYEHHGGXARJS-UHFFFAOYSA-N
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
1.30
ALogP
3
HBA
2
HBD
57.5
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 C8H8O3
MW 152.15
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.81

Activity Summary

IC50 4 meas. best 4.35
Ki 2 meas. best 7.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.49 7.485 32.1 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.35 4.35 45000.0 1
LoVo
CHEMBL614721
 IC50 4.01 4.01 97000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 32.1 nM 7.49 Inhibition of Crotalus adamanteus venom PLA2 assessed as effect on 1-hexadecanoy... 18423943
Unchecked Ki = 33.31 nM 7.48 Inhibition of Crotalus adamanteus venom PLA2 assessed as effect on 1-hexadecanoy... 18423943
NON-PROTEIN TARGET IC50 = 45000.0 nM 4.35 Cytotoxicity against human OE21 cells after 72 hrs by MTT assay 21696954
LoVo IC50 = 97000.0 nM 4.01 Cytotoxicity against human LoVo cells after 72 hrs by MTT assay 21696954

Literature References

PubMed DOI Target Context # Activities
18423943 10.1016/j.ejmech.2008.02.043 Unchecked 6
21696954 10.1016/j.bmcl.2011.05.089 NON-PROTEIN TARGET 4
926120 10.1021/jm00219a017 Rattus norvegicus 2
926120 10.1021/jm00219a017 Unchecked 2
21696954 10.1016/j.bmcl.2011.05.089 A549 1
21696954 10.1016/j.bmcl.2011.05.089 PC-3 1
21696954 10.1016/j.bmcl.2011.05.089 SK-MEL-28 1
21696954 10.1016/j.bmcl.2011.05.089 LoVo 1
19097778 10.1016/j.bmcl.2008.11.112 Solute carrier family 28 member 3 1
17400458 10.1016/j.bmc.2007.03.045 Urease subunit alpha/Urease subunit beta 1
29033233 10.1016/j.bmcl.2017.09.057 Acetylcholinesterase 1
29033233 10.1016/j.bmcl.2017.09.057 Cholinesterase 1
29033233 10.1016/j.bmcl.2017.09.057 Amine oxidase [flavin-containing] A 1
29033233 10.1016/j.bmcl.2017.09.057 Amine oxidase [flavin-containing] B 1
29033233 10.1016/j.bmcl.2017.09.057 No relevant target 1
31444085 10.1016/j.bmcl.2019.126625 Amine oxidase [flavin-containing] B 1
31444085 10.1016/j.bmcl.2019.126625 Cholinesterase 1
31444085 10.1016/j.bmcl.2019.126625 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine