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Compound Detail

CHEMBL4228180

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COc1cccc(-c2nc(N)sc2C(=O)c2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228180
Phase Preclinical
Structure Type MOL
InChI Key HJSJXCYBKUCTOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
4.29
ALogP
5
HBA
1
HBD
65.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O2S
MW 344.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
29534930 10.1016/j.bmcl.2018.03.001 Nuclear receptor ROR-beta 1
29534930 10.1016/j.bmcl.2018.03.001 Nuclear receptor ROR-gamma 1

Data from ChEMBL 36 via Core Engine