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Compound Detail

CHEMBL6294

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Fc1ccc(-c2c(-c3cccnc3)nc3n2CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6294
Phase Preclinical
Structure Type MOL
InChI Key NGUFJMKCHCGHMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.70
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FN3
MW 279.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
11855979 10.1021/jm010493y TGF-beta receptor type-1 1

Data from ChEMBL 36 via Core Engine