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Compound Detail

CHEMBL274911

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OCC1CC(F)C(n2cnc3c(F)ncnc32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274911
Phase Preclinical
Structure Type MOL
InChI Key MDQWTVPCWCTNBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
0.58
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.80
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 C10H10F2N4O2
MW 256.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.40

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.54 hr -

Literature References

PubMed DOI Target Context # Activities
7707321 10.1021/jm00007a015 PBMC 6
7707321 10.1021/jm00007a015 Adenosine deaminase 2
7707321 10.1021/jm00007a015 No relevant target 1
7707321 10.1021/jm00007a015 ADMET 1
8648601 10.1021/jm9509197 ADMET 1

Data from ChEMBL 36 via Core Engine