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Compound Detail

CHEMBL421995

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CCCCCC[C@@H](C)OC(=O)CC(O)CBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421995
Phase Preclinical
Structure Type MOL
InChI Key QCYFUIMYSKLMCP-NFJWQWPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)
3.03
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.40
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 C12H23BrO3
MW 295.22
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
9871570 10.1016/s0960-894x(98)00073-0 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine