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Compound Detail

CHEMBL4745289

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CCOC(=O)CNc1ncnc2cc(-c3ccc(SC)cc3)sc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745289
Phase Preclinical
Structure Type MOL
InChI Key OUCZJDSFVJDQFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.06
ALogP
7
HBA
1
HBD
64.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O2S2
MW 359.48
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.70

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