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Compound Detail

CHEMBL1162079

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CC(C)NC(=O)N=S(=O)(O)c1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1162079
Phase Preclinical
Structure Type MOL
InChI Key ZTBDOMLKLUJPEO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
1.98
ALogP
3
HBA
2
HBD
102.5
PSA (Ų)
0.85
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 C11H13N3O3S
MW 267.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.10

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18211009 10.1021/jm701130z Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine