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Compound Detail

CHEMBL117186

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COCCOCn1c(Br)c(C#N)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117186
Phase Preclinical
Structure Type MOL
InChI Key GTMDIARQESCPJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.1
MW (Da)
1.27
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12BrN5O2
MW 326.15
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
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