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Compound Detail

CHEMBL151096

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CCCCOc1ccc(-c2cocn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151096
Phase Preclinical
Structure Type MOL
InChI Key LSDRRJJMBIDABR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
3.52
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.72
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 C13H15NO2
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
14640550 10.1021/jm020557k Unchecked 1
14640550 10.1021/jm020557k Cytochrome P450 1A2 1
14640550 10.1021/jm020557k Cytochrome P450 2C9 1
14640550 10.1021/jm020557k Aromatase 1
14640550 10.1021/jm020557k Cytochrome P450 2D6 1
14640550 10.1021/jm020557k Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine