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Compound Detail

CHEMBL1097512

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CCCCC(O)Cc1oc(OC)c(C)c(=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1097512
Phase Preclinical
Structure Type MOL
InChI Key HEKBAFYVKTUVNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.36
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22O4
MW 254.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
20456960 10.1016/j.bmc.2010.03.070 Unchecked 3

Data from ChEMBL 36 via Core Engine