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Compound Detail

CHEMBL4166160

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NS(=O)(=O)c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166160
Phase Preclinical
Structure Type MOL
InChI Key PDOAPXQLQHUSGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
4.00
ALogP
7
HBA
3
HBD
126.7
PSA (Ų)
0.42
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 C18H15ClN6O2S2
MW 446.95
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
29259738 10.1021/acsmedchemlett.7b00239 Serine/threonine-protein kinase PknA 1
29259738 10.1021/acsmedchemlett.7b00239 Serine/threonine-protein kinase PknB 1

Data from ChEMBL 36 via Core Engine