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Compound Detail

CHEMBL8126

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CCCCOC(=O)c1cc(OC)c(CC(C)N)cc1OC

Basic Information

ChEMBL ID CHEMBL8126
Phase Preclinical
Structure Type MOL
InChI Key DHCQOPOFDPDJGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.55
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO4
MW 295.38
Aromatic Rings 1
Heavy Atoms 21

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
Ki 5.82 5.82 1530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2308135 10.1021/jm00165a023 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine