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Compound Detail

CHEMBL5171454

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COc1cc(Cn2cc(C(=O)c3nccs3)c3ccccc32)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171454
Phase Preclinical
Structure Type MOL
InChI Key MDEFOIVVRLFZRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.39
ALogP
6
HBA
0
HBD
53.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O3S
MW 378.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
35416668 10.1021/acs.jmedchem.2c00208 Aryl hydrocarbon receptor 2

Data from ChEMBL 36 via Core Engine