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Compound Detail

CHEMBL3813724

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CCCCCNc1cc(C)n(Cc2ccccc2)c(=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3813724
Phase Preclinical
Structure Type MOL
InChI Key ZFSUQGBGJLVODB-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
3.81
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.78
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 C18H24N2O
MW 284.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.14

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
27265687 10.1016/j.bmc.2016.05.043 Alpha-2A adrenergic receptor 3
27265687 10.1016/j.bmc.2016.05.043 K562 1
38160616 10.1016/j.ejmech.2023.116063 HepG2 1

Data from ChEMBL 36 via Core Engine