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Compound Detail

CHEMBL435968

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CCOCn1cc(C#N)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL435968
Phase Preclinical
Structure Type MOL
InChI Key YDJSOTNRJLXLAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
0.88
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.82
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 C10H11N5O
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
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
8632411 10.1021/jm950444j L1210 1
8784444 10.1021/jm950835y Human betaherpesvirus 5 1
8784444 10.1021/jm950835y HFF 1
8784444 10.1021/jm950835y KB 1

Data from ChEMBL 36 via Core Engine