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Compound Detail

CHEMBL95394

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CC(C)n1cnc2c(=O)n(-c3ccccc3)c3ncccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95394
Phase Preclinical
Structure Type MOL
InChI Key IBZRTNDRGRSNIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.32
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O
MW 304.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
1495017 10.1021/jm00093a020 Rattus norvegicus 2
1495017 10.1021/jm00093a020 Mus musculus 1
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine