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Compound Detail

CHEMBL4778595

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CN1CCN(Cc2ccc3c(c2)CCO3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778595
Phase Preclinical
Structure Type MOL
InChI Key XBQGYSADMACISA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.37
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2O
MW 232.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.23

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