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Compound Detail

CHEMBL151644

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COc1ccc(CNCc2cccc(C(=O)NCCCCc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151644
Phase Preclinical
Structure Type MOL
InChI Key XZYFKDFGRRSBKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.74
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O2
MW 402.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
14698200 10.1016/j.bmcl.2003.09.080 Sodium- and chloride-dependent glycine transporter 2 1

Data from ChEMBL 36 via Core Engine