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Compound Detail

CHEMBL507488

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CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccn3ccnc3c2)ncc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507488
Phase Preclinical
Structure Type MOL
InChI Key VTJSCBLLYSEYMD-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.78
ALogP
7
HBA
2
HBD
70.4
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 C19H22F3N7
MW 405.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.25

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 Liver microsomes 1

Data from ChEMBL 36 via Core Engine