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Compound Detail

CHEMBL2303819

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O=S(=O)(O)OC[C@@H]1O[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL2303819
Phase Preclinical
Structure Type MOL
InChI Key RRZOMYHUSSAQTC-DSOBHZJASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
-4.09
ALogP
16
HBA
5
HBD
327.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12O21S5
MW 580.48
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.00

Activity Summary

Kd 2 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor 1
CHEMBL2120
Kd 4.43 4.43 37500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor 1 Kd = 37500.0 nM 4.43 Dissociation constant for Fibroblast growth factor 1 15027859

Literature References

PubMed DOI Target Context # Activities
15027859 10.1021/jm030447t Fibroblast growth factor 1 2
15027859 10.1021/jm030447t Fibroblast growth factor 2 2

Data from ChEMBL 36 via Core Engine