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Compound Detail

CHEMBL4789463

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CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789463
Phase Preclinical
Structure Type MOL
InChI Key JEOGFTYLESYHAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.97
ALogP
4
HBA
0
HBD
26.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3OS
MW 327.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
33214825 10.1021/acsmedchemlett.0c00293 Lymphocyte 1

Data from ChEMBL 36 via Core Engine