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Compound Detail

CHEMBL4215102

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CC(C(=O)NCc1cc(C(C)(C)C)nn1C)c1ccc(NS(C)(=O)=O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4215102
Phase Preclinical
Structure Type MOL
InChI Key BTNVIUSDNGHALT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.65
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27FN4O3S
MW 410.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
28838698 10.1016/j.bmcl.2017.08.020 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine