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Compound Detail

CHEMBL51218

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O=C(Nc1ccccc1Cl)OCCN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51218
Phase Preclinical
Structure Type MOL
InChI Key OUHJQURVTSMAKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.8
MW (Da)
3.37
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19ClN2O2
MW 282.77
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
9171886 10.1021/jm960853v 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine