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Compound Detail

CHEMBL111508

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CCCCCCCCCCCCCCCC(=O)C1=C(OC)[C@@H](CO)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111508
Phase Preclinical
Structure Type MOL
InChI Key LOACEWFPBNGTDM-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.86
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H38O5
MW 382.54
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
11563920 10.1021/jm0100741 Dual specificity protein phosphatase 3 1
11563920 10.1021/jm0100741 M-phase inducer phosphatase 2 1
11563920 10.1021/jm0100741 Unchecked 1
23415087 10.1016/j.bmc.2013.01.033 Heparanase 1
32222663 10.1016/j.ejmech.2020.112221 Heparanase 1

Data from ChEMBL 36 via Core Engine