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Compound Detail

CHEMBL608832

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OC(COc1ccccc1-c1nc2ccccc2o1)CN1CCCC1c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608832
Phase Preclinical
Structure Type MOL
InChI Key FNEBLCTZWCYYMQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
71.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O3
MW 415.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.08

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18211009 10.1021/jm701130z Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine