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Compound Detail

CHEMBL5194956

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

Basic Information

ChEMBL ID CHEMBL5194956
Phase Preclinical
Structure Type MOL
InChI Key DVLPRKQYZZVSCB-UHFFFAOYSA-N
Parent Compound CHEMBL5222430
Active Moiety CHEMBL5222430
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
1.23
ALogP
5
HBA
3
HBD
92.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22ClFN2O3S
MW 340.85
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.93

Activity Summary

EC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 EC50 5.14 5.14 7239.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 7239.0 nM 5.14 Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cell... 35360904

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