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Compound Detail

CHEMBL1923253

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CCCCCCc1ccc(/C=C(\C#N)C(=O)NC(c2ccccc2)C2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923253
Phase Preclinical
Structure Type MOL
InChI Key UCLIXTRGQRBUPP-HKOYGPOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
5.98
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O
MW 386.54
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
22036213 10.1016/j.bmc.2011.09.057 NON-PROTEIN TARGET 2
22036213 10.1016/j.bmc.2011.09.057 U-266 1

Data from ChEMBL 36 via Core Engine