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Compound Detail

CHEMBL4753344

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c1ccc(CN2CCN(CC3Cc4ccccc4O3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753344
Phase Preclinical
Structure Type MOL
InChI Key BICWUZDDTDRSJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.81
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O
MW 308.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
33333448 10.1016/j.bmc.2020.115924 Histamine H4 receptor 1
33333448 10.1016/j.bmc.2020.115924 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine