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Compound Detail

CHEMBL229758

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CC(C)(C)c1ccc(/C=C2\CCCN(c3ccc4c(c3)OCCO4)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229758
Phase Preclinical
Structure Type MOL
InChI Key QYVUWSQNQVOUOT-OBGWFSINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.97
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.69
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 C24H27NO3
MW 377.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
17585749 10.1021/jm070189q Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine