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Compound Detail

CHEMBL4761540

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CCOC(=O)COc1ncnc2cc(-c3ccc(Cl)cc3)sc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4761540
Phase Preclinical
Structure Type MOL
InChI Key JBRRFBWVTWOPNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
3.95
ALogP
6
HBA
0
HBD
61.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN2O3S
MW 348.81
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
33215924 10.1021/acs.jmedchem.0c01174 Serine/threonine-protein kinase 17B 3
33215924 10.1021/acs.jmedchem.0c01174 Serine/threonine-protein kinase 17A 1

Data from ChEMBL 36 via Core Engine