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Compound Detail

CHEMBL177680

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Fc1ccc(-c2ccc(-c3nc4c(N5CC6CCN(Cc7ccccc7)C6C5)ncnc4o3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177680
Phase Preclinical
Structure Type MOL
InChI Key ZYNFMWLBVNRZPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
5.80
ALogP
6
HBA
0
HBD
58.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26FN5O
MW 491.57
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
15050645 10.1016/j.bmcl.2004.01.082 Adenosine kinase 1

Data from ChEMBL 36 via Core Engine