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Compound Detail

CHEMBL93985

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C/C(=C\c1cccc(C(=O)O)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93985
Phase Preclinical
Structure Type MOL
InChI Key VZEFZNZNVIXOCT-FOWTUZBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
6.60
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O2
MW 362.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
7636843 10.1021/jm00015a004 Retinoic acid receptor alpha 1
7636843 10.1021/jm00015a004 Retinoic acid receptor beta 1
7636843 10.1021/jm00015a004 Retinoic acid receptor gamma 1
7636843 10.1021/jm00015a004 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine