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Compound Detail

CHEMBL259140

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N#Cc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259140
Phase Preclinical
Structure Type MOL
InChI Key IXQNRYRNLQWBMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.18
ALogP
5
HBA
1
HBD
74.5
PSA (Ų)
0.60
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 C21H15N5
MW 337.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.94

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 6
18333608 10.1021/jm701500e Cruzipain 2

Data from ChEMBL 36 via Core Engine