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Compound Detail

CHEMBL590118

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CC(/C=N/O)=C\c1ccc(C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590118
Phase Preclinical
Structure Type MOL
InChI Key PHUKDWIKVLATRS-VMPIADEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
3.85
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO
MW 217.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
19945872 10.1016/j.bmcl.2009.10.113 Transient receptor potential cation channel subfamily A member 1 3

Data from ChEMBL 36 via Core Engine