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Compound Detail

CHEMBL4762254

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CC(C)(C)c1ccc2c(c1)CC(CN1CCN(c3ccccc3)CC1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762254
Phase Preclinical
Structure Type MOL
InChI Key DJJYMRGYBSNEHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
4.11
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O
MW 350.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
33333448 10.1016/j.bmc.2020.115924 Histamine H3 receptor 3
33333448 10.1016/j.bmc.2020.115924 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine