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Compound Detail

CHEMBL75311

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CC(C)(C)c1cc(C2=Cc3ccc(C(=O)O)cc3OC2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75311
Phase Preclinical
Structure Type MOL
InChI Key UQCXBXLOSYAUCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.32
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00405-8 F9 1
- 10.1016/S0960-894X(97)00405-8 Retinoic acid receptor alpha 1
- 10.1016/S0960-894X(97)00405-8 Retinoic acid receptor beta 1
- 10.1016/S0960-894X(97)00405-8 Retinoic acid receptor gamma 1
- 10.1016/S0960-894X(97)00405-8 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine