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Compound Detail

CHEMBL41801

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CCCN(CCC)[C@H]1CCc2ccccc2[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41801
Phase Preclinical
Structure Type MOL
InChI Key BSFUDLSQCLQWQE-PBHICJAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.4
MW (Da)
4.23
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
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 C17H27N
MW 245.41
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
7530773 10.1021/jm00001a020 Rattus norvegicus 11
7530773 10.1021/jm00001a020 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine