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Compound Detail

CHEMBL2165370

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O=C1CC(COc2cc(Cl)cc(Cl)c2)CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165370
Phase Preclinical
Structure Type MOL
InChI Key YGUHHSIWJUGZDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
4.42
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.80
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 C18H17Cl2NO2
MW 350.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
23021992 10.1016/j.bmcl.2012.08.114 PC-12 1

Data from ChEMBL 36 via Core Engine