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Compound Detail

CHEMBL469968

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NCCCC(N)(C(=O)NCCCNc1nc(N)nc(N)n1)C(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469968
Phase Preclinical
Structure Type MOL
InChI Key CJGRZYBNVIYBED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
-1.34
ALogP
9
HBA
6
HBD
183.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H23F2N9O
MW 347.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
19250832 10.1016/j.bmc.2009.01.058 Trypanosoma brucei brucei 3

Data from ChEMBL 36 via Core Engine