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Compound Detail

CHEMBL376300

PSEUDOPALMATINE
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COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CC2

Basic Information

ChEMBL ID CHEMBL376300
Name PSEUDOPALMATINE
Phase Preclinical
Structure Type MOL
InChI Key CLFBXKHKECKSQM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.38
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22NO4+
MW 352.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.11

Activity Summary

IC50 2 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
IC50 4.1 4.1 80000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 80000.0 nM 4.1 Inhibition of cell proliferation in MCF7 mp53 cells in presence of 6.5 Gy [60Co]... 17315964

Literature References

PubMed DOI Target Context # Activities
17315964 10.1021/np060285e MCF7 4

Data from ChEMBL 36 via Core Engine