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Compound Detail

CHEMBL3144211

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O=S(=O)(O)C[C@@H]1[C@@H](O[C@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)O[C@@H](CS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL3144211
Phase Preclinical
Structure Type MOL
InChI Key SPTMKZFCKGGREL-VUDBDWLISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

964.8
MW (Da)
-6.39
ALogP
25
HBA
8
HBD
518.0
PSA (Ų)
0.05
QED
3
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24O33S8
MW 964.84
Aromatic Rings 0
Heavy Atoms 54
NP-Likeness 0.94

Activity Summary

Kd 2 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor 1
CHEMBL2120
Kd 6.13 6.13 740.0 1
Fibroblast growth factor 2
CHEMBL3107
Kd 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

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