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Compound Detail

CHEMBL2376488

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Cc1[nH]c2ccc(Oc3ccccc3[N+](=O)[O-])cc2c1C1=CCNCC1

Basic Information

ChEMBL ID CHEMBL2376488
Phase Preclinical
Structure Type MOL
InChI Key ZAXKYKVRNBLJCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.55
ALogP
4
HBA
2
HBD
80.2
PSA (Ų)
0.53
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 C20H19N3O3
MW 349.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23542166 10.1016/j.ejmech.2013.03.006 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine