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Compound Detail

CHEMBL4174596

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CCC(C)(C)c1ccc(OCCCN2CCN(C3CCCO3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174596
Phase Preclinical
Structure Type MOL
InChI Key LHYUQEXAICSENK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.90
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.66
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 C22H36N2O2
MW 360.54
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
29723785 10.1016/j.ejmech.2018.04.043 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine