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Compound Detail

CHEMBL338136

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COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338136
Phase Preclinical
Structure Type MOL
InChI Key UHDZXRRUYROSMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
1.33
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22ClN3O3
MW 327.81
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
11020291 10.1021/jm0009538 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine