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Compound Detail

CHEMBL399317

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COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1C1CN3CCC[C@H]3C=C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399317
Phase Preclinical
Structure Type MOL
InChI Key AVTCXJVXWDPCND-PVCZSOGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.35
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO4
MW 393.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
17531481 10.1016/j.bmcl.2007.05.021 Unchecked 2
17531481 10.1016/j.bmcl.2007.05.021 PANC-1 1
17531481 10.1016/j.bmcl.2007.05.021 Transcription factor Jun 1

Data from ChEMBL 36 via Core Engine