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Compound Detail

CHEMBL296193

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CC(=C/C(=O)O)/C=C/C=C(C)/C=C1\CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296193
Phase Preclinical
Structure Type MOL
InChI Key PPGNMFUMZSAZCW-TXBLCUFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
4.94
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.63
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 C20H22O2
MW 294.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
9572893 10.1021/jm970635h NON-PROTEIN TARGET 7
9572893 10.1021/jm970635h Retinoic acid receptor alpha 2
9572893 10.1021/jm970635h Retinoic acid receptor beta 2
9572893 10.1021/jm970635h Retinoic acid receptor RXR-alpha 2
9572893 10.1021/jm970635h Retinoic acid receptor gamma 1
9572893 10.1021/jm970635h Retinoic acid receptor RXR-gamma 1
9572893 10.1021/jm970635h HL-60 1
9572893 10.1021/jm970635h NB-4 1
9572893 10.1021/jm970635h Unchecked 1

Data from ChEMBL 36 via Core Engine