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Compound Detail

CHEMBL3334971

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CCC(=O)Nc1nsc2ncc(-c3ccc(OC)c(OC)c3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334971
Phase Preclinical
Structure Type MOL
InChI Key VXOIRCFOFKFUHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.72
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.76
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 C17H17N3O3S
MW 343.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25178155 10.1021/jm5007929 Serine/threonine-protein kinase 17B 2

Data from ChEMBL 36 via Core Engine