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Compound Detail

CHEMBL5285333

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CCC(=O)O[C@@H](C/C=C(\C)C(=O)OC)[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@](O)(CC(C)=O)O2)O1)OC(=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285333
Phase Preclinical
Structure Type MOL
InChI Key VXULRZBSIZCHOV-AWQVLAOLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

869.1
MW (Da)
6.11
ALogP
16
HBA
1
HBD
213.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
22
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H72O16
MW 869.06
Aromatic Rings 0
Heavy Atoms 61
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
30243157 10.1016/j.ejmech.2018.08.093 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine