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Compound Detail

CHEMBL148604

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)OCC1c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148604
Phase Preclinical
Structure Type MOL
InChI Key KVHCIVUYVSQCPQ-QXMHVHEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
6.96
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H27NO6
MW 521.57
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.08

Literature References

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

Data from ChEMBL 36 via Core Engine