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Compound Detail

CHEMBL4755309

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CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755309
Phase Preclinical
Structure Type MOL
InChI Key BYGOWJSNUXDBCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.65
ALogP
4
HBA
1
HBD
70.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O3
MW 352.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
33045662 10.1016/j.ejmech.2020.112857 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine