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Compound Detail

CHEMBL82248

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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(CC3OC(C(=O)O)C(O)C(O)C3O)cc2)C(C)(C)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82248
Phase Preclinical
Structure Type MOL
InChI Key ATZAQCPGJKBUFC-PPBWNBFDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

565.7
MW (Da)
4.63
ALogP
6
HBA
5
HBD
136.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43NO7
MW 565.71
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
12161154 10.1016/s0960-894x(02)00427-4 Rattus norvegicus 6
12161154 10.1016/s0960-894x(02)00427-4 Retinoic acid receptor RXR-alpha 1
12161154 10.1016/s0960-894x(02)00427-4 Retinoic acid receptor RXR-beta 1
12161154 10.1016/s0960-894x(02)00427-4 Retinoic acid receptor RXR-gamma 1

Data from ChEMBL 36 via Core Engine