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Compound Detail

CHEMBL3356053

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COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1

Basic Information

ChEMBL ID CHEMBL3356053
Phase Preclinical
Structure Type MOL
InChI Key WGDISKHJLCXFQH-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
2.28
ALogP
8
HBA
3
HBD
159.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7O3S
MW 421.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.63

Activity Summary

IC50 4 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Sgk1
CHEMBL2343
IC50 8.7 8.375 2.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25589934 10.1021/ml5003376 Serine/threonine-protein kinase Sgk1 2

Data from ChEMBL 36 via Core Engine