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Compound Detail

CHEMBL514557

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Cc1cc(-c2ccc3c4c([nH]c3c2F)-c2ccc(C3=NCCN3)cc2CC4)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514557
Phase Preclinical
Structure Type MOL
InChI Key UYVZKXWOBZOKSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.54
ALogP
2
HBA
2
HBD
40.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21F2N3
MW 413.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
18778936 10.1016/j.bmcl.2008.08.068 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine