Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL262794

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCN(C2=C(C=O)n3c(C=O)ccc3Sc3ccccc32)CC1

Basic Information

ChEMBL ID CHEMBL262794
Phase Preclinical
Structure Type MOL
InChI Key AMECFCFFHHGFQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.54
ALogP
6
HBA
0
HBD
45.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2S
MW 353.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14695828 10.1021/jm0309811 5-hydroxytryptamine receptor 2A 1
14695828 10.1021/jm0309811 D(1A) dopamine receptor 1
14695828 10.1021/jm0309811 D(2) dopamine receptor 1
14695828 10.1021/jm0309811 D(3) dopamine receptor 1
14695828 10.1021/jm0309811 Dopamine D2 receptor and serotonin 2a receptor 1
14695828 10.1021/jm0309811 ADMET 1

Data from ChEMBL 36 via Core Engine