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Compound Detail

CHEMBL4441103

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Cc1cc2c(cc1C(=O)c1ccc(S(=O)(=O)O)cc1)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4441103
Phase Preclinical
Structure Type MOL
InChI Key VBCZKJPEMLTMIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.82
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26O4S
MW 386.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
27592633 10.1021/acs.jmedchem.6b00812 Retinoid X receptor 6
27592633 10.1021/acs.jmedchem.6b00812 Retinoic acid receptor RXR-alpha 1
27592633 10.1021/acs.jmedchem.6b00812 Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha 1
27592633 10.1021/acs.jmedchem.6b00812 ADMET 1

Data from ChEMBL 36 via Core Engine