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Compound Detail

CHEMBL505812

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O=C1NCC2CC12c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505812
Phase Preclinical
Structure Type MOL
InChI Key OYWJYCLEIGSRLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
1.14
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9NOS
MW 179.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
18539031 10.1016/j.bmcl.2008.05.077 Sodium-dependent serotonin transporter 1
18539031 10.1016/j.bmcl.2008.05.077 Transporter 1
18539031 10.1016/j.bmcl.2008.05.077 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine