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Compound Detail

CHEMBL400825

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CC(C)(C)CNc1c(C#N)c(C(F)F)nn1-c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400825
Phase Preclinical
Structure Type MOL
InChI Key VWUMVRGLGZIFGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.54
ALogP
6
HBA
1
HBD
87.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F2N4O2S
MW 382.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
17126015 10.1016/j.bmcl.2006.11.026 Unchecked 3
17126015 10.1016/j.bmcl.2006.11.026 No relevant target 1

Data from ChEMBL 36 via Core Engine