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Compound Detail

CHEMBL99568

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CCCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21

Basic Information

ChEMBL ID CHEMBL99568
Phase Preclinical
Structure Type MOL
InChI Key HAOGXHLXELFKLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.54
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.58
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 C19H18N4O
MW 318.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
1495017 10.1021/jm00093a020 Rattus norvegicus 6
1495017 10.1021/jm00093a020 Mus musculus 1
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine