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Compound Detail

CHEMBL3593937

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COC(C)(C)CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3593937
Phase Preclinical
Structure Type MOL
InChI Key JHLPMSFZJFPKFH-REZTVBANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.41
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H34O6
MW 442.55
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
26178912 10.1016/j.bmc.2015.06.058 NON-PROTEIN TARGET 1
26178912 10.1016/j.bmc.2015.06.058 Molecular identity unknown 1
26178912 10.1016/j.bmc.2015.06.058 ADMET 1
26178912 10.1016/j.bmc.2015.06.058 Zinc finger protein GLI1 1

Data from ChEMBL 36 via Core Engine