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Compound Detail

CHEMBL3319632

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CC1(C)CCc2cc(S(=O)(=O)N(CCO)Cc3cccc(Oc4ccccc4)c3)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3319632
Phase Preclinical
Structure Type MOL
InChI Key QIHXGNJPESRQPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.77
ALogP
5
HBA
1
HBD
76.1
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 C26H29NO5S
MW 467.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
24988361 10.1021/jm500681z Diacylglycerol lipase-alpha 1

Data from ChEMBL 36 via Core Engine