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Compound Detail

CHEMBL560594

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C=CCc1cc(/C=N/CCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560594
Phase Preclinical
Structure Type MOL
InChI Key VZEQIENGKHUSNX-NLRVBDNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
6.22
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO2
MW 377.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
19589678 10.1016/j.bmcl.2009.06.071 A2780 2
19589678 10.1016/j.bmcl.2009.06.071 K562 1
19589678 10.1016/j.bmcl.2009.06.071 NON-PROTEIN TARGET 1
19589678 10.1016/j.bmcl.2009.06.071 A549 1

Data from ChEMBL 36 via Core Engine