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Compound Detail

CHEMBL2181182

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CCCN1CCC(COc2nc3cc(Cl)ccc3c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181182
Phase Preclinical
Structure Type MOL
InChI Key OKQQSELFJPRKMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
5.54
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN2O
MW 368.91
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
23102207 10.1021/jm300943r 5-hydroxytryptamine receptor 4 4

Data from ChEMBL 36 via Core Engine