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Compound Detail

CHEMBL139976

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CN(C)CCCNc1ccccc1

Basic Information

ChEMBL ID CHEMBL139976
Phase Preclinical
Structure Type MOL
InChI Key KHICLGAAEQIDSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

178.3
MW (Da)
2.05
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.69
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 C11H18N2
MW 178.28
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
2539480 10.1021/jm00124a021 5-hydroxytryptamine receptor 1A 1
2539480 10.1021/jm00124a021 5-hydroxytryptamine receptor 1B 1
2539480 10.1021/jm00124a021 Adrenergic receptor beta 1
9435911 10.1021/jm970507t 5-hydroxytryptamine receptor 1B 1

Data from ChEMBL 36 via Core Engine