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Compound Detail

CHEMBL464966

IZALPININ
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COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1

Basic Information

ChEMBL ID CHEMBL464966
Name IZALPININ
Phase Preclinical
Structure Type MOL
InChI Key PVJNLMXWZXXHSZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.76
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 C16H12O5
MW 284.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 1.16

Activity Summary

EC50 2 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 4.52 4.52 30300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 30300.0 nM 4.52 Antiproliferative activity against mouse 26-L5 cells after 72 hrs by MTT assay 12027739

Literature References

Data from ChEMBL 36 via Core Engine