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Compound Detail

CHEMBL65055

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CCOc1cc2ncnc(Nc3ccccc3)c2cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65055
Phase Preclinical
Structure Type MOL
InChI Key MROVNZNDCIYJMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.17
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
11140724 10.1016/s0960-894x(00)00586-2 Fructose-1,6-bisphosphatase 1 1
22960695 10.1016/j.ejmech.2012.08.004 Unchecked 1

Data from ChEMBL 36 via Core Engine