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Compound Detail

CHEMBL1650269

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Nc1cc(-c2ccccc2)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650269
Phase Preclinical
Structure Type MOL
InChI Key PWSZRRFDVPMZGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
1.66
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N3
MW 159.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
29529503 10.1016/j.ejmech.2018.03.009 Ubiquitin carboxyl-terminal hydrolase 2 2
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2
21126022 10.1021/jm1010572 Pteridine reductase 1 1
33543615 10.1021/acs.jmedchem.0c01521 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine