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Compound Detail

CHEMBL5267089

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COc1cc(CN(CCN)c2nc3ccccc3s2)ccc1OCc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5267089
Phase Preclinical
Structure Type MOL
InChI Key XSXCKQXJIZWRIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.99
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN3O2S
MW 437.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
27437828 10.1021/acs.jmedchem.6b00305 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine