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Compound Detail

CHEMBL4564251

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CCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564251
Phase Preclinical
Structure Type MOL
InChI Key IQSYWEWTWDEVNO-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.65
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O4
MW 330.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.37

Literature References

PubMed DOI Target Context # Activities
30816712 10.1021/acs.jnatprod.8b00874 Fatty-acid amide hydrolase 1 2
30816712 10.1021/acs.jnatprod.8b00874 Unchecked 2
30816712 10.1021/acs.jnatprod.8b00874 Diacylglycerol lipase-alpha 2
30816712 10.1021/acs.jnatprod.8b00874 N-acylethanolamine-hydrolyzing acid amidase 2
30816712 10.1021/acs.jnatprod.8b00874 RBL-2H3 2
33887133 10.1021/acs.jnatprod.0c01281 L-lactate dehydrogenase B chain 1

Data from ChEMBL 36 via Core Engine