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Compound Detail

CHEMBL3143711

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CC(C)CCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143711
Phase Preclinical
Structure Type MOL
InChI Key SPHIFZBIUPXKLW-CEWLAPEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.28
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O5
MW 412.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
15993062 10.1016/j.bmcl.2005.05.071 Molecular identity unknown 4
15993062 10.1016/j.bmcl.2005.05.071 No relevant target 1
15993062 10.1016/j.bmcl.2005.05.071 NON-PROTEIN TARGET 1
15993062 10.1016/j.bmcl.2005.05.071 HeLa 1

Data from ChEMBL 36 via Core Engine