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Compound Detail

CHEMBL1423543

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Fc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1423543
Phase Preclinical
Structure Type MOL
InChI Key UJDLDERLIKFXPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
3.15
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.63
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 C17H13FN6
MW 320.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.23

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1
20625148 10.1128/aac.00313-10 ADMET 1

Data from ChEMBL 36 via Core Engine