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Compound Detail

CHEMBL195112

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CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195112
Phase Preclinical
Structure Type MOL
InChI Key WCSIGIOEZOCRAG-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.11
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO5
MW 381.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
15634002 10.1021/jm049485i Transient receptor potential cation channel subfamily V member 1 2

Data from ChEMBL 36 via Core Engine