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Compound Detail

CHEMBL171241

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Oc1nsc2c1CNCC2

Basic Information

ChEMBL ID CHEMBL171241
Phase Preclinical
Structure Type MOL
InChI Key ZXGXTTFJFGHGTL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
0.49
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8N2OS
MW 156.21
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
6304315 10.1021/jm00360a020 Felis catus 3
6304315 10.1021/jm00360a020 No relevant target 2
6304315 10.1021/jm00360a020 Unchecked 1
6304315 10.1021/jm00360a020 GABA-A receptor; anion channel 1
6304315 10.1021/jm00360a020 GABA transporter 1

Data from ChEMBL 36 via Core Engine