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Compound Detail

CHEMBL373279

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OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5C(O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373279
Phase Preclinical
Structure Type MOL
InChI Key IMIRFUPLZJBKOR-WQCXAXTQSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
6
Publications
0
Known Names

Molecular Properties

828.7
MW (Da)
-11.92
ALogP
26
HBA
17
HBD
427.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H52O26
MW 828.72
Aromatic Rings 0
Heavy Atoms 56
NP-Likeness 0.95

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
CL - - Rattus norvegicus
T1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
16366604 10.1021/jm050618p Rattus norvegicus 5
16366604 10.1021/jm050618p Human alphaherpesvirus 1 2
16366604 10.1021/jm050618p Fibroblast growth factor 1 1
16366604 10.1021/jm050618p Fibroblast growth factor 2 1
16366604 10.1021/jm050618p Vascular endothelial growth factor A, long form 1
16366604 10.1021/jm050618p Heparanase 1

Data from ChEMBL 36 via Core Engine