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Compound Detail

CHEMBL153601

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CCCCCCCCC(=O)CF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153601
Phase Preclinical
Structure Type MOL
InChI Key ZHHDPMJFHGUJRF-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

174.3
MW (Da)
3.28
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H19FO
MW 174.26
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.41

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
12459025 10.1021/jm020072w No relevant target 2
12459025 10.1021/jm020072w Cocaine esterase 1
12459025 10.1021/jm020072w Acylcarnitine hydrolase 1
12459025 10.1021/jm020072w Liver carboxylesterase 1
12459025 10.1021/jm020072w CG8425-PA [Drosophila melanogaster] 1

Data from ChEMBL 36 via Core Engine