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Compound Detail

CHEMBL3781879

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CC1(C)CCC(C)(C)c2cc3c(cc21)O[C@H]1CCCC[C@@]31c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781879
Phase Preclinical
Structure Type MOL
InChI Key GNYIFRIYMYLWAP-WNCULLNHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
6.35
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32O3
MW 404.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
26820900 10.1021/acs.jmedchem.5b01702 Retinoic acid receptor RXR-alpha 2
26820900 10.1021/acs.jmedchem.5b01702 Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha 2

Data from ChEMBL 36 via Core Engine