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Compound Detail

CHEMBL95276

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O=C(O)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95276
Phase Preclinical
Structure Type MOL
InChI Key VHFLAAVJMOUKOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
1.82
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N4O3
MW 320.31
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
1495017 10.1021/jm00093a020 Rattus norvegicus 3
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine