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Compound Detail

CHEMBL4647133

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Cc1cc(=O)[nH]c2nn(C)c(C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647133
Phase Preclinical
Structure Type MOL
InChI Key RFSFPDSKERYIMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.88
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N3O
MW 177.21
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
32462873 10.1021/acs.jmedchem.0c00359 Tyrosine-protein kinase JAK1 1

Data from ChEMBL 36 via Core Engine