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Compound Detail

CHEMBL3400290

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NCCCCCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3400290
Phase Preclinical
Structure Type MOL
InChI Key BPMXJXPDTCFYSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
2.15
ALogP
10
HBA
1
HBD
118.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33F2N9O2
MW 529.60
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25766633 10.1016/j.bmc.2015.02.053 Unchecked 1

Data from ChEMBL 36 via Core Engine