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Compound Detail

CHEMBL3356968

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O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1cnc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3356968
Phase Preclinical
Structure Type MOL
InChI Key LSVCDWRFSZVKSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.93
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O
MW 422.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.90

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