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Compound Detail

CHEMBL382867

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FC(F)(F)c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382867
Phase Preclinical
Structure Type MOL
InChI Key FEVBDKSSOLFBDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
4.67
ALogP
9
HBA
2
HBD
107.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F3N6O3
MW 470.41
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
16377187 10.1016/j.bmcl.2005.11.094 Tubulin 1
16377187 10.1016/j.bmcl.2005.11.094 A-431 1

Data from ChEMBL 36 via Core Engine