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Compound Detail

CHEMBL5202197

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CC(C)(C)NC(CO)c1cc(C(F)(F)F)c(N)c(S(=O)(=O)c2ccccc2)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202197
Phase Preclinical
Structure Type MOL
InChI Key FCTSQMYVTWTZEJ-UHFFFAOYSA-N
Parent Compound CHEMBL5222640
Active Moiety CHEMBL5222640
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.54
ALogP
5
HBA
3
HBD
92.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClF3N2O3S
MW 452.93
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
35360904 10.1021/acs.jmedchem.1c02006 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine