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Compound Detail

CHEMBL3103364

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O=C(N1CCOCC1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103364
Phase Preclinical
Structure Type MOL
InChI Key NOPZTCNOVACUFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.93
ALogP
3
HBA
0
HBD
36.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O2
MW 351.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
24411201 10.1016/j.bmc.2013.12.050 Aldo-keto reductase family 1 member C3 1

Data from ChEMBL 36 via Core Engine