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Compound Detail

CHEMBL3397484

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CC(=O)N[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc2cccc(NC(=O)CCCCC3CCSS3)c2)O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O.[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL3397484
Phase Preclinical
Structure Type MOL
InChI Key LYKDDFZHVIOTOU-IEDBURTQSA-L
Parent Compound CHEMBL3559032
Active Moiety CHEMBL3559032
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

920.0
MW (Da)
-3.10
ALogP
21
HBA
13
HBD
369.9
PSA (Ų)
0.03
QED
3
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H51N3Na2O20S3
MW 963.96
Aromatic Rings 1
Heavy Atoms 60
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
25765912 10.1016/j.bmcl.2015.02.054 Fibroblast growth factor 2 1

Data from ChEMBL 36 via Core Engine