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Compound Detail

CHEMBL449178

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Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449178
Phase Preclinical
Structure Type MOL
InChI Key SGUTYQRGKCLTRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.82
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O2
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
18841880 10.1021/jm800569w Histamine H3 receptor 1
18841880 10.1021/jm800569w Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine