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Compound Detail

CHEMBL125005

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COc1cc(N)c(Cl)cc1C(=O)OCCN1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125005
Phase Preclinical
Structure Type MOL
InChI Key STXPSWHCNHJFSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
0.99
ALogP
6
HBA
2
HBD
76.8
PSA (Ų)
0.62
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 C14H20ClN3O3
MW 313.79
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.05

Literature References

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

Data from ChEMBL 36 via Core Engine