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Compound Detail

CHEMBL249910

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CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)n1cc(CCCCCCCCCCCCC)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL249910
Phase Preclinical
Structure Type MOL
InChI Key QKPOGJGHQYKKGD-DSPMFFIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

551.9
MW (Da)
8.48
ALogP
6
HBA
3
HBD
91.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
29
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H65N3O3
MW 551.90
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
17561396 10.1016/j.bmcl.2007.05.086 HCT-116 1
17561396 10.1016/j.bmcl.2007.05.086 NCI-H358 1
17561396 10.1016/j.bmcl.2007.05.086 K562 1

Data from ChEMBL 36 via Core Engine