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Compound Detail

CHEMBL2417565

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Cc1ccc(Nc2nc(C(=O)N3CCCC(c4ccccc4)C3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2417565
Phase Preclinical
Structure Type MOL
InChI Key LJVXYOKHDBRGKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.21
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3OS
MW 377.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
23886683 10.1016/j.bmcl.2013.06.047 Short transient receptor potential channel 6 1
23886683 10.1016/j.bmcl.2013.06.047 Short transient receptor potential channel 3 1

Data from ChEMBL 36 via Core Engine