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Compound Detail

CHEMBL63787

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CCOc1cc2nc(CC(C)C)nc(Nc3cccc(Br)c3)c2cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63787
Phase Preclinical
Structure Type MOL
InChI Key MDOWTIDDKKNVDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
6.13
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26BrN3O2
MW 444.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
11140724 10.1016/s0960-894x(00)00586-2 Fructose-1,6-bisphosphatase 1 1
12190310 10.1021/jm010496a Unchecked 1
22960695 10.1016/j.ejmech.2012.08.004 Unchecked 1

Data from ChEMBL 36 via Core Engine