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Compound Detail

CHEMBL3628303

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COC1=CC(O)C2C(=O)O[C@@H](C)CC3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3628303
Phase Preclinical
Structure Type MOL
InChI Key KIBJDJJXGWIFNI-AEHVWFIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
0.80
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O7
MW 364.39
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.29

Literature References

PubMed DOI Target Context # Activities
26481152 10.1016/j.bmc.2015.09.037 Mitogen-activated protein kinase kinase kinase 7 1

Data from ChEMBL 36 via Core Engine