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Compound Detail

CHEMBL169096

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Cc1cccc(Cn2cc(C#N)c3c(N)ncnc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169096
Phase Preclinical
Structure Type MOL
InChI Key FYUGCFBBDVKUCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.24
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.77
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 C15H13N5
MW 263.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
8632411 10.1021/jm950444j Human betaherpesvirus 5 1
8632411 10.1021/jm950444j Human alphaherpesvirus 1 1
8632411 10.1021/jm950444j HFF 1
8632411 10.1021/jm950444j KB 1

Data from ChEMBL 36 via Core Engine