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Compound Detail

CHEMBL608138

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COc1cccc(OC)c1-c1ccnc(CCN(C)C)n1

Basic Information

ChEMBL ID CHEMBL608138
Phase Preclinical
Structure Type MOL
InChI Key ZOGZUNFJVUUUTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.26
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3O2
MW 287.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.50

Activity Summary

Ki 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.83 5.83 1485.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20138771 10.1016/j.bmc.2010.01.035 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine