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Compound Detail

CHEMBL4638380

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O=c1cc(C(F)F)c2c[nH]nc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4638380
Phase Preclinical
Structure Type MOL
InChI Key FITZNYWREKTKLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

185.1
MW (Da)
1.19
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5F2N3O
MW 185.13
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.48

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