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Compound Detail

CHEMBL70489

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CCCN(CCC)CC1CCc2ccc3[nH]ccc3c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70489
Phase Preclinical
Structure Type MOL
InChI Key KCNLBXIMJJIDHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.39
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N2
MW 284.45
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
7783153 10.1021/jm00012a022 5-hydroxytryptamine receptor 1A 1
7783153 10.1021/jm00012a022 D(2) dopamine receptor 1
7783153 10.1021/jm00012a022 D(3) dopamine receptor 1
7783153 10.1021/jm00012a022 5-hydroxytryptamine receptor 1D 1
7783153 10.1021/jm00012a022 5-hydroxytryptamine receptor 1B 1

Data from ChEMBL 36 via Core Engine