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Compound Detail

CHEMBL3742086

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CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccn12

Basic Information

ChEMBL ID CHEMBL3742086
Phase Preclinical
Structure Type MOL
InChI Key QDOZAVATYPZZCI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.40
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.89
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 C20H29FN4O
MW 360.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.67

Activity Summary

EC50 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 6.88 6.88 132.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26363507 10.1016/j.ejmech.2015.08.051 5-hydroxytryptamine receptor 4 2

Data from ChEMBL 36 via Core Engine