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Compound Detail

CHEMBL3739467

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COCCCN1CCC(c2nnc(-c3nc(C(C)C)n4ccccc34)o2)CC1

Basic Information

ChEMBL ID CHEMBL3739467
Phase Preclinical
Structure Type MOL
InChI Key IMDCOISNVLNWFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.72
ALogP
7
HBA
0
HBD
68.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O2
MW 383.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 6.13 6.13 736.0 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