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Compound Detail

CHEMBL3659989

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O=C(Nc1ccc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2c1)C1CC1(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3659989
Phase Preclinical
Structure Type MOL
InChI Key SEAWZPFSTWYPJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
3.54
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F2N6O2
MW 438.44
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
29150397 10.1016/j.bmcl.2017.10.041 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine