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Compound Detail

CHEMBL4162951

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CCC(C)[C@@H]1C(=O)/C(=C(/O)[C@@H]2[C@@H]3[C@H](C)C[C@H](C)C[C@@H]3C=C[C@@H]2[C@]2(C)O[C@H]2C)C(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162951
Phase Preclinical
Structure Type MOL
InChI Key NPWKEUKXVOMELT-CTIINMITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
4.53
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H39NO4
MW 429.60
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
29901398 10.1021/acs.jmedchem.8b00494 Retinoic acid receptor RXR-alpha 1
29901398 10.1021/acs.jmedchem.8b00494 Retinoic acid receptor RXR-beta 1
29901398 10.1021/acs.jmedchem.8b00494 Retinoic acid receptor RXR-gamma 1

Data from ChEMBL 36 via Core Engine