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Compound Detail

CHEMBL320106

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCS(=O)(=O)NCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320106
Phase Preclinical
Structure Type MOL
InChI Key UIHGIJVKHKNVNM-DOFZRALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
5.04
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H39NO3S
MW 397.63
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
12951114 10.1016/s0960-894x(03)00721-2 Cannabinoid receptor 1 1
12951114 10.1016/s0960-894x(03)00721-2 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine