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Compound Detail

CHEMBL330645

PLATYPHYLLENONE
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O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330645
Name PLATYPHYLLENONE
Phase Preclinical
Structure Type MOL
InChI Key GIKJADRKBZHVCY-DUXPYHPUSA-N
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.79
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O3
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.18

Activity Summary

EC50 7 meas. best 6.92
IC50 5 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 6.92 6.0733 120.0 3
RAW264.7
CHEMBL612557
 IC50 5.16 4.8233 6900.0 3
Leishmania major
CHEMBL612879
 EC50 5.0 5.0 9900.0 1
Leishmania mexicana
CHEMBL612880
 EC50 4.68 4.68 21000.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.46 4.46 34700.0 1
HEK293
CHEMBL614818
 EC50 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 120.0 nM 6.92 Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... 20004045
Trypanosoma brucei brucei EC50 = 1900.0 nM 5.72 Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... 20004045
Trypanosoma brucei brucei EC50 = 2600.0 nM 5.58 Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... 20004045
RAW264.7 IC50 = 6900.0 nM 5.16 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 33422907
Leishmania major EC50 = 9900.0 nM 5.0 Antileishmanial activity against Leishmania major Friedlin promastigotes after 4... 20004045
RAW264.7 IC50 = 15900.0 nM 4.8 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 33422907
Leishmania mexicana EC50 = 21000.0 nM 4.68 Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes... 20004045
RAW264.7 IC50 = 30700.0 nM 4.51 Cytotoxicity against mouse RAW264.7 cells assessed as reduction in cell viabilit... 33422907
NON-PROTEIN TARGET IC50 = 34700.0 nM 4.46 Antifibrotic activity against rat HSC-T6 cells assessed as inhibition of prolife... 21504848
HEK293 EC50 = 45000.0 nM 4.35 Cytotoxicity against HEK293 cells after 16 hrs by alamar blue assay 20004045

Literature References

PubMed DOI Target Context # Activities
23465614 10.1016/j.bmcl.2013.01.127 3T3-L1 4
20004045 10.1016/j.ejmech.2009.11.035 Trypanosoma brucei brucei 3
33422907 10.1016/j.bmc.2020.115971 RAW264.7 3
9873651 10.1016/s0960-894x(98)00528-9 Rattus norvegicus 2
20363129 10.1016/j.bmcl.2010.03.053 RBL-2H3 2
20045319 10.1016/j.bmcl.2009.12.057 Influenza A virus 1
20045319 10.1016/j.bmcl.2009.12.057 ADMET 1
20045319 10.1016/j.bmcl.2009.12.057 Unchecked 1
20004045 10.1016/j.ejmech.2009.11.035 Leishmania major 1
20004045 10.1016/j.ejmech.2009.11.035 Leishmania mexicana 1
20004045 10.1016/j.ejmech.2009.11.035 HEK293 1
21504848 10.1016/j.bmcl.2011.03.074 NON-PROTEIN TARGET 1
31255927 10.1016/j.ejmech.2019.06.034 Prostaglandin G/H synthase 2 1
33422907 10.1016/j.bmc.2020.115971 No relevant target 1

Data from ChEMBL 36 via Core Engine