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Compound Detail

CHEMBL393975

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COC(=O)CCCCCNC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393975
Phase Preclinical
Structure Type MOL
InChI Key NZWJVXYPJYJQQV-YVWYTEFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
2.53
ALogP
9
HBA
5
HBD
162.6
PSA (Ų)
0.13
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO9
MW 487.51
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
17418581 10.1016/j.bmc.2006.06.059 Unchecked 1
17418581 10.1016/j.bmc.2006.06.059 Jurkat 1
17418581 10.1016/j.bmc.2006.06.059 No relevant target 1

Data from ChEMBL 36 via Core Engine