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Compound Detail

CHEMBL4205551

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Cc1ccc(C(C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205551
Phase Preclinical
Structure Type MOL
InChI Key IODORSWUQLRHCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

583.1
MW (Da)
6.09
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32ClFN4O3S
MW 583.13
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.80

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