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Compound Detail

CHEMBL3400289

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O=C(CCCCC[N+](=O)[O-])N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3400289
Phase Preclinical
Structure Type MOL
InChI Key GTCRNPORFSJNRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

559.6
MW (Da)
2.47
ALogP
11
HBA
0
HBD
135.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31F2N9O4
MW 559.58
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.16

Literature References

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

Data from ChEMBL 36 via Core Engine