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Compound Detail

CHEMBL153670

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O=C(NCCCCc1ccccc1)c1ccccc1CNC1CCCc2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153670
Phase Preclinical
Structure Type MOL
InChI Key WAXRDAZDTSDCJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.31
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N2O2
MW 428.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.33

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