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Compound Detail

CHEMBL570975

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COc1ccc(C#Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570975
Phase Preclinical
Structure Type MOL
InChI Key LXENGFBAOTWOBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO6
MW 413.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
19879758 10.1016/j.bmcl.2009.10.064 HeLa 1
19879758 10.1016/j.bmcl.2009.10.064 MCF7 1

Data from ChEMBL 36 via Core Engine