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Compound Detail

CHEMBL298632

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CCCCc1nc2c(C(=O)O)cccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298632
Phase Preclinical
Structure Type MOL
InChI Key SHEKOSPDZMKNMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
4.97
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N6O2
MW 452.52
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
8510105 10.1021/jm00064a011 Unchecked 1
8510105 10.1021/jm00064a011 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine