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Compound Detail

CHEMBL233596

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CCCN(CCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(=O)Oc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233596
Phase Preclinical
Structure Type MOL
InChI Key XHQZICQEPDSWTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.7
MW (Da)
8.14
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36FN3O2
MW 513.66
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
17459705 10.1016/j.bmcl.2007.04.009 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine