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Compound Detail

CHEMBL3356967

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COc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3356967
Phase Preclinical
Structure Type MOL
InChI Key KSUBSYSNHNJBGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.63
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O2
MW 401.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
25282655 10.1016/j.bmc.2014.09.012 Monoglyceride lipase 1
25282655 10.1016/j.bmc.2014.09.012 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine