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Compound Detail

CHEMBL571475

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Fc1ccc2c(c1)nc(N1CCN(CCc3c[nH]cn3)CC1)c1cccn12

Basic Information

ChEMBL ID CHEMBL571475
Phase Preclinical
Structure Type MOL
InChI Key DSYPQNCLZHZVKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.71
ALogP
5
HBA
1
HBD
52.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN6
MW 364.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.72

Activity Summary

Ki 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 3A
CHEMBL2411
Ki 6.48 6.48 330.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19831400 10.1021/jm901126m 5-hydroxytryptamine receptor 3A 1

Data from ChEMBL 36 via Core Engine