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Compound Detail

CHEMBL2208191

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COc1c(O)cc2c(c1OC)C(=O)c1ccc(C)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2208191
Phase Preclinical
Structure Type MOL
InChI Key SDORPFNPHNOSFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.49
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.79
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 C17H14O5
MW 298.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.11

Activity Summary

IC50 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PC-6
CHEMBL614235
 IC50 4.28 4.28 52210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PC-6 IC50 = 52210.0 nM 4.28 Cytotoxicity against human PC6 cells by MTT assay 23186307

Literature References

PubMed DOI Target Context # Activities
23186307 10.1021/np300386d PC-6 1

Data from ChEMBL 36 via Core Engine