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Compound Detail

CHEMBL246237

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Nc1cccc2cnncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246237
Phase Preclinical
Structure Type MOL
InChI Key IXASUUHIFCTEJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

145.2
MW (Da)
1.21
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7N3
MW 145.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17320386 10.1016/j.bmcl.2007.02.003 Candida albicans 1
17320386 10.1016/j.bmcl.2007.02.003 Candida tropicalis 1
17320386 10.1016/j.bmcl.2007.02.003 Pichia kudriavzevii 1
17320386 10.1016/j.bmcl.2007.02.003 Cryptococcus neoformans 1
17320386 10.1016/j.bmcl.2007.02.003 Aspergillus niger 1
17320386 10.1016/j.bmcl.2007.02.003 Aspergillus flavus 1
35820623 10.1016/j.bmcl.2022.128883 Aspartate aminotransferase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine