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Compound Detail

CHEMBL4227179

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Nc1nc(-c2ccc(Cl)cc2)c(C(=O)c2ccccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227179
Phase Preclinical
Structure Type MOL
InChI Key UWYWRFNNVQRXCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)
4.93
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Cl2N2OS
MW 349.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.54

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