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Compound Detail

CHEMBL4545685

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CC(=O)c1ccc(OCCCCN2CCN(C3CCCO3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545685
Phase Preclinical
Structure Type MOL
InChI Key YXBCWYLTJQPOEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
2.80
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O3
MW 346.47
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
30448256 10.1016/j.bmc.2018.11.010 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine