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Compound Detail

CHEMBL1388908

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S=C(NCc1ccccc1)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1388908
Phase Preclinical
Structure Type MOL
InChI Key LQZPSWMMTICWHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
2.85
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2S
MW 256.37
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
22222037 10.1016/j.bmcl.2011.12.068 Transient receptor potential cation channel subfamily A member 1 1
35636649 10.1016/j.bmcl.2022.128822 Unchecked 1

Data from ChEMBL 36 via Core Engine