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Compound Detail

CHEMBL1939973

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O=C(O)c1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1939973
Phase Preclinical
Structure Type MOL
InChI Key WINUVFQXELQOGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.51
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N2O3S
MW 336.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
22222037 10.1016/j.bmcl.2011.12.068 Transient receptor potential cation channel subfamily A member 1 2

Data from ChEMBL 36 via Core Engine