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Compound Detail

CHEMBL171109

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COc1ccc(Cn2cc(C#N)c3c(N)ncnc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171109
Phase Preclinical
Structure Type MOL
InChI Key GFJNBXPUFFMZHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.94
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.79
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 C15H13N5O
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.07

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