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Compound Detail

CHEMBL4227984

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Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227984
Phase Preclinical
Structure Type MOL
InChI Key WFDZTPJRBRDGAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
4.18
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.43
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 C16H10ClN3O3S
MW 359.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.84

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