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Compound Detail

CHEMBL4211387

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CCOC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/CO)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211387
Phase Preclinical
Structure Type MOL
InChI Key HPGMIOLAFACUMI-SADFVUDUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.61
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O5
MW 334.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
30258542 10.1021/acsmedchemlett.8b00282 Trypanosoma brucei brucei 2
30258542 10.1021/acsmedchemlett.8b00282 Alternative oxidase, mitochondrial 1
30258542 10.1021/acsmedchemlett.8b00282 HEK-293T 1

Data from ChEMBL 36 via Core Engine