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Compound Detail

CHEMBL150489

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CNC1CCCc2snc(O)c21

Basic Information

ChEMBL ID CHEMBL150489
Phase Preclinical
Structure Type MOL
InChI Key MHGVSGHXCCFMJC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
1.45
ALogP
4
HBA
2
HBD
45.1
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 C8H12N2OS
MW 184.26
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10639282 10.1021/jm9904452 Mus musculus 2
10639282 10.1021/jm9904452 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine