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Compound Detail

CHEMBL221034

OLIVEROLINE
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CN1CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3

Basic Information

ChEMBL ID CHEMBL221034
Name OLIVEROLINE
Phase Preclinical
Structure Type MOL
InChI Key NVMGTUCOAQKLLO-IRXDYDNUSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.66
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO3
MW 295.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.70

Activity Summary

IC50 2 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
IC50 4.7 4.525 20000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17315964 10.1021/np060285e MCF7 5
17315964 10.1021/np060285e Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine