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Compound Detail

CHEMBL151670

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)C(N)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151670
Phase Preclinical
Structure Type MOL
InChI Key IRKOAPRLUOYFDN-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
1.86
ALogP
7
HBA
3
HBD
112.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O6
MW 386.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
12570374 10.1021/jm020204l Unchecked 5
12570374 10.1021/jm020204l MCF7 3
12570374 10.1021/jm020204l Tubulin alpha chain 2
12570374 10.1021/jm020204l P388 1

Data from ChEMBL 36 via Core Engine