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Compound Detail

CHEMBL246806

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CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(/C=C/C(=O)O)o3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246806
Phase Preclinical
Structure Type MOL
InChI Key HCCSLXKEGONRAM-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
4.39
ALogP
3
HBA
1
HBD
70.8
PSA (Ų)
0.83
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 C21H23NO4
MW 353.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
17485209 10.1016/j.bmcl.2007.01.047 Unchecked 1
17485209 10.1016/j.bmcl.2007.01.047 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine