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Compound Detail

CHEMBL471697

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O=C1Cc2cc(Nc3nccc(NCc4ccccn4)n3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471697
Phase Preclinical
Structure Type MOL
InChI Key FGTLXELKCJOMEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.72
ALogP
6
HBA
3
HBD
91.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O
MW 332.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
18951788 10.1016/j.bmcl.2008.10.030 Focal adhesion kinase 1 1
18951788 10.1016/j.bmcl.2008.10.030 Protein-tyrosine kinase 2-beta 1
18951788 10.1016/j.bmcl.2008.10.030 Liver microsomes 1

Data from ChEMBL 36 via Core Engine