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Compound Detail

CHEMBL264473

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CCOc1cc(OCC)c(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264473
Phase Preclinical
Structure Type MOL
InChI Key MOSZEQVQHKRMAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.74
ALogP
8
HBA
0
HBD
74.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O3
MW 447.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
2836588 10.1021/jm00401a010 Mus musculus 2
2836588 10.1021/jm00401a010 GABA-A receptor; anion channel 1
2836588 10.1021/jm00401a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine