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Compound Detail

CHEMBL1202408

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CCCN(CCC)C1Cc2cccc3nc(C)n(c23)C1.Cl.Cl

Basic Information

ChEMBL ID CHEMBL1202408
Phase Preclinical
Structure Type MOL
InChI Key OGXNBBULKYITMV-UHFFFAOYSA-N
Parent Compound CHEMBL273247
Active Moiety CHEMBL273247
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.39
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.83
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 C17H27Cl2N3
MW 344.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 5.35 5.35 4493.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1348089 10.1021/jm00084a013 D(2) dopamine receptor 1
1348089 10.1021/jm00084a013 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine