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Compound Detail

CHEMBL347107

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)C(N)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347107
Phase Preclinical
Structure Type MOL
InChI Key YZAVTYZJEWCRAJ-HJWRWDBZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
4.11
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O5
MW 446.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.17

Literature References

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

Data from ChEMBL 36 via Core Engine