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Compound Detail

CHEMBL5190454

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

Basic Information

ChEMBL ID CHEMBL5190454
Phase Preclinical
Structure Type MOL
InChI Key LOBTXWJXGIBUCK-UHFFFAOYSA-N
Parent Compound CHEMBL5221864
Active Moiety CHEMBL5221864
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.11
ALogP
5
HBA
3
HBD
92.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22ClF3N2O3S
MW 390.86
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.82

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