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Compound Detail

CHEMBL4763345

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CSc1ccc(-c2cc3ncnc(NCC(=O)O)c3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763345
Phase Preclinical
Structure Type MOL
InChI Key YQQOYSLULNYKGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.58
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.70
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 C15H13N3O2S2
MW 331.42
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.51

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